SCHEMBL794079

SCHEMBL794079

O=[N+]([O-])c1cc(C2=CCNCC2)cc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.56
HTR6 P50406 4/20 0.43
HTR2A P28223 1/20 0.43
P2RY14 Q15391 1/20 0.41
KHK P50053 1/20 0.40
SIGMAR1 Q99720 2/20 0.40
QDPR P09417 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL17232840 0.83 HTR2C (0.71) HTR2CP2RY14SIGMAR1QDPR
Hydrochloric Acid SCHEMBL17222909 0.81 HTR2C (0.72) HTR2CHTR6P2RY14SIGMAR1QDPR
SCHEMBL15077316 0.80 HTR6 (0.51) HTR2CHTR6HTR2AKHKSIGMAR1
SCHEMBL10104504 0.76 HTR2C (0.62) HTR2CHTR6HTR2AP2RY14SIGMAR1
SCHEMBL20040946 0.76 HTR2C (0.62) HTR2CP2RY14SIGMAR1QDPR
SCHEMBL4789631 0.75 HTR2C (0.56) HTR2CHTR6HTR2AKHKSIGMAR1
SCHEMBL4789895 0.75 HTR2C (0.57) HTR2CHTR6HTR2AKHKSIGMAR1
SCHEMBL794772 0.74 SLC6A4 (0.46) QDPR
Trifluoroacetic Acid SCHEMBL31227326 0.74 HTR2C (0.53) HTR2CHTR6HTR2AP2RY14KHK
SCHEMBL15542566 0.74 SCN2A (0.33) SMN1; SMN2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2864289-B1 CYCLOPROPANECARBOXAMIDO-SUBSTITUTED AROMATIC COMPOUNDS AS ANTI-TUMOR AGENTS CB THERAPEUTICS INC (KY) 2018-04-11 EP disclosed
EP-2864289-B1 CYCLOPROPANECARBOXAMIDO-SUBSTITUTED AROMATIC COMPOUNDS AS ANTI-TUMOR AGENTS CB THERAPEUTICS INC (KY) 2018-04-11 EP disclosed
US-9840477-B2 Cyclopropanecarboxamido-substituted aromatic compounds as anti-tumor agents CB THERAPEUTICS INC. (KY) 2017-12-12 US disclosed
US-9840477-B2 Cyclopropanecarboxamido-substituted aromatic compounds as anti-tumor agents CB THERAPEUTICS INC. (KY) 2017-12-12 US disclosed
US-20160280664-A1 Cyclopropanecarboxamido-Substituted Aromatic Compounds as Anti-tumor Agents APOLLOMICS INC. 2016-09-29 US disclosed
US-20160280664-A1 Cyclopropanecarboxamido-Substituted Aromatic Compounds as Anti-tumor Agents APOLLOMICS INC. 2016-09-29 US disclosed
US-20160280664-A1 Cyclopropanecarboxamido-Substituted Aromatic Compounds as Anti-tumor Agents APOLLOMICS INC. 2016-09-29 US disclosed
US-9359338-B2 Cyclopropanecarboxamido-substitute aromatic compounds as anti-tumor agents CROWN BIOSCIENCE INC. (TAIWAN) (TW) 2016-06-07 US disclosed
US-9359338-B2 Cyclopropanecarboxamido-substitute aromatic compounds as anti-tumor agents CROWN BIOSCIENCE INC. (TAIWAN) (TW) 2016-06-07 US disclosed
US-9359338-B2 Cyclopropanecarboxamido-substitute aromatic compounds as anti-tumor agents CROWN BIOSCIENCE INC. (TAIWAN) (TW) 2016-06-07 US disclosed
US-20150197511-A1 CYCLOPROPANECARBOXAMIDO-SUBSTITUTE AROMATIC COMPOUNDS AS ANTI-TUMOR AGENTS APOLLOMICS INC. 2015-07-16 US disclosed
US-20150197511-A1 CYCLOPROPANECARBOXAMIDO-SUBSTITUTE AROMATIC COMPOUNDS AS ANTI-TUMOR AGENTS APOLLOMICS INC. 2015-07-16 US disclosed
EP-2864289-A1 CYCLOPROPANECARBOXAMIDO-SUBSTITUTE AROMATIC COMPOUNDS AS ANTI-TUMOR AGENTS Crown Bioscience Inc. (Taiwan) (CN) 2015-04-29 EP disclosed
CN-103508961-A Antitumor drug CROWN BIOSCIENCE TAICANG CO LTD 2014-01-15 CN disclosed
WO-2014000418-A1 CYCLOPROPANECARBOXAMIDO-SUBSTITUTE AROMATIC COMPOUNDS AS ANTI-TUMOR AGENTS CROWN BIOSCIENCE INC. (TAICANG) (CN) 2014-01-03 WO disclosed
EP-2616443-A1 PHTALAZINE DERIVATIVES AS JAK1 INHIBITORS Exelixis, Inc. (US) 2013-07-24 EP disclosed
US-20130165440-A1 JAK1 Inhibitors EXELIXIS, INC. (US) 2013-06-27 US disclosed
US-20130165440-A1 JAK1 Inhibitors EXELIXIS, INC. (US) 2013-06-27 US disclosed
WO-2012037132-A1 PHTALAZINE DERIVATIVES AS JAK1 INHIBITORS EXELIXIS, INC. (US) 2012-03-22 WO disclosed
WO-2012037132-A1 PHTALAZINE DERIVATIVES AS JAK1 INHIBITORS EXELIXIS, INC. (US) 2012-03-22 WO 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 (3 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-20160280664-A1 Cyclopropanecarboxamido-Substituted Aromatic Compounds as Anti-tumor Agents BRAF, RAF1, ARAF HTR2C 4180/4885HTR6 3880/4885HTR2A 4477/4885
US-20150197511-A1 CYCLOPROPANECARBOXAMIDO-SUBSTITUTE AROMATIC COMPOUNDS AS ANTI-TUMOR AGENTS BRAF, ARAF, RAF1 HTR2C 3888/4885HTR6 3545/4885HTR2A 4291/4885
US-20130165440-A1 JAK1 Inhibitors JAK1, JAK2, JAK3 HTR2C 955/4885HTR6 1155/4885HTR2A 542/4885

“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.