SCHEMBL1690956

SCHEMBL1690956

c1ccc(-c2ccc(CN3CCCC3)cc2)cc1

nearest known ligand 0.85

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.85
CYP2C19 P33261 1/20 0.85
HRH3 Q9Y5N1 11/20 0.80
HRH4 Q9H3N8 1/20 0.80
CHKA P35790 2/20 0.72
SIGMAR1 Q99720 1/20 0.61
ALDH1A1 P00352 2/20 0.60
TSHR P16473 1/20 0.60
KDM4E B2RXH2 1/20 0.59

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24023622 0.98 CYP2D6 (0.89) CYP2D6CYP2C19HRH3HRH4CHKA
SCHEMBL1997330 0.98 CYP2D6 (0.89) CYP2D6CYP2C19HRH3HRH4CHKA
SCHEMBL24023625 0.98 CYP2D6 (0.89) CYP2D6CYP2C19HRH3HRH4CHKA
SCHEMBL16226080 0.89 SIGMAR1 (0.78) CYP2D6CYP2C19HRH3HRH4CHKA
SCHEMBL1777747 0.87 SIGMAR1 (0.81) CYP2D6CYP2C19HRH3HRH4SIGMAR1
SCHEMBL13952 0.87 SIGMAR1 (0.81) CYP2D6CYP2C19HRH3HRH4SIGMAR1
SCHEMBL13940572 0.86 CHKA (0.74) CYP2D6CYP2C19HRH3HRH4CHKA
Ammonia Solution, Strong SCHEMBL3699405 0.85 SIGMAR1 (0.77) CYP2D6CYP2C19HRH3HRH4SIGMAR1
SCHEMBL688047 0.85 SIGMAR1 (0.77) CYP2D6CYP2C19HRH3HRH4SIGMAR1
SCHEMBL8327 0.85 SIGMAR1 (0.77) CYP2D6CYP2C19HRH3HRH4SIGMAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101490063-B Fluoroboron compound, aromatic ring aminomethylating agent comprising the same, and method for producing compound having aminomethyl aromatic ring using the aromatic ring aminomethylating agent Sanitary Material R&D Management Co.,Ltd. (JP) 2014-10-22 CN disclosed
EP-2039697-B1 FLUOROBORON COMPOUND, AMINOMETHYLATING AGENT FOR AROMATIC RING COMPRISING THE COMPOUND, AND PROCESS FOR PRODUCTION OF COMPOUND HAVING AMINOMETHYL-AROMATIC RING USING THE AMINOMETHYLATING AGENT EISAI R&D MAN CO LTD (JP) 2013-09-04 EP disclosed
EP-2039697-B1 FLUOROBORON COMPOUND, AMINOMETHYLATING AGENT FOR AROMATIC RING COMPRISING THE COMPOUND, AND PROCESS FOR PRODUCTION OF COMPOUND HAVING AMINOMETHYL-AROMATIC RING USING THE AMINOMETHYLATING AGENT EISAI R&D MAN CO LTD (JP) 2013-09-04 EP disclosed
US-8524946-B2 Fluoroboron compound, aminomethylating agent for aromatic ring made of the same, and production method of compound containing aminomethyl aromatic ring using aminomethylating agent EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-09-03 US disclosed
US-8524946-B2 Fluoroboron compound, aminomethylating agent for aromatic ring made of the same, and production method of compound containing aminomethyl aromatic ring using aminomethylating agent EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-09-03 US disclosed
US-8524946-B2 Fluoroboron compound, aminomethylating agent for aromatic ring made of the same, and production method of compound containing aminomethyl aromatic ring using aminomethylating agent EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-09-03 US disclosed
US-20120010403-A1 FLUOROBORON COMPOUND, AMINOMETHYLATING AGENT FOR AROMATIC RING MADE OF THE SAME, AND PRODUCTION METHOD OF COMPOUND CONTAINING AMINOMETHYL AROMATIC RING USING AMINOMETHYLATING AGENT TANAKA KEIGO (JP) 2012-01-12 US disclosed
US-20120010403-A1 FLUOROBORON COMPOUND, AMINOMETHYLATING AGENT FOR AROMATIC RING MADE OF THE SAME, AND PRODUCTION METHOD OF COMPOUND CONTAINING AMINOMETHYL AROMATIC RING USING AMINOMETHYLATING AGENT TANAKA KEIGO (JP) 2012-01-12 US disclosed
US-20120010403-A1 FLUOROBORON COMPOUND, AMINOMETHYLATING AGENT FOR AROMATIC RING MADE OF THE SAME, AND PRODUCTION METHOD OF COMPOUND CONTAINING AMINOMETHYL AROMATIC RING USING AMINOMETHYLATING AGENT TANAKA KEIGO (JP) 2012-01-12 US disclosed
US-8044216-B2 Fluoroboron compound, aminomethylating agent for aromatic ring made of the same, and production method of compound containing aminomethyl aromatic ring using aminomethylating agent EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-10-25 US disclosed
US-8044216-B2 Fluoroboron compound, aminomethylating agent for aromatic ring made of the same, and production method of compound containing aminomethyl aromatic ring using aminomethylating agent EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-10-25 US disclosed
US-8044216-B2 Fluoroboron compound, aminomethylating agent for aromatic ring made of the same, and production method of compound containing aminomethyl aromatic ring using aminomethylating agent EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-10-25 US disclosed
CN-101490063-A Fluoroboron compound, aromatic ring aminomethylating agent comprising the same, and method for producing compound having aminomethyl aromatic ring using the aromatic ring aminomethylating agent EISAI R&D MAN CO LTD (JP) 2009-07-22 CN disclosed
EP-2039697-A1 FLUOROBORON COMPOUND, AMINOMETHYLATING AGENT FOR AROMATIC RING COMPRISING THE COMPOUND, AND PROCESS FOR PRODUCTION OF COMPOUND HAVING AMINOMETHYL-AROMATIC RING USING THE AMINOMETHYLATING AGENT Eisai R&D Management Co., Ltd. (JP) 2009-03-25 EP disclosed
EP-2039697-A1 FLUOROBORON COMPOUND, AMINOMETHYLATING AGENT FOR AROMATIC RING COMPRISING THE COMPOUND, AND PROCESS FOR PRODUCTION OF COMPOUND HAVING AMINOMETHYL-AROMATIC RING USING THE AMINOMETHYLATING AGENT Eisai R&D Management Co., Ltd. (JP) 2009-03-25 EP disclosed
US-20080015351-A1 Fluoroboron compound, aminomethylating agent for aromatic ring made of the same, and production method of compound containing aminomethyl aromatic ring using aminomethylating agent EISAI R&D MANAGEMENT CO., LTD. 2008-01-17 US disclosed
US-20080015351-A1 Fluoroboron compound, aminomethylating agent for aromatic ring made of the same, and production method of compound containing aminomethyl aromatic ring using aminomethylating agent EISAI R&D MANAGEMENT CO., LTD. 2008-01-17 US disclosed
US-20080015351-A1 Fluoroboron compound, aminomethylating agent for aromatic ring made of the same, and production method of compound containing aminomethyl aromatic ring using aminomethylating agent EISAI R&D MANAGEMENT CO., LTD. 2008-01-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080015351-A1 Fluoroboron compound, aminomethylating agent for aromatic ring made of the same, and production method of compound containing aminomethyl aromatic ring using aminomethylating agent PRMT6, MLLT3, PRMT3 CYP2D6 412/4885CYP2C19 1522/4885HRH3 224/4885
US-20120010403-A1 FLUOROBORON COMPOUND, AMINOMETHYLATING AGENT FOR AROMATIC RING MADE OF THE SAME, AND PRODUCTION METHOD OF COMPOUND CONTAINING AMINOMETHYL AROMATIC RING USING AMINOMETHYLATING AGENT PRMT6, MLLT3, PRMT3 CYP2D6 412/4885CYP2C19 1522/4885HRH3 224/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.