SCHEMBL1637428

SCHEMBL1637428

CCCN(CCC)CCCCN(C)Cc1ccc(C#N)cc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.48
HRH3 Q9Y5N1 2/20 0.46
CYP2A6 P11509 1/20 0.46
RORC P51449 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
CXCR4 P61073 1/20 0.44
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
Hydrochloric Acid SCHEMBL2205187 0.98 SIGMAR1 (0.47) SIGMAR1HRH3CYP2A6RORCTMEM97
SCHEMBL31612507 0.90 TSHR (0.53) SIGMAR1HRH3CYP2A6TMEM97TSHR
SCHEMBL2201240 0.89 RORC (0.53) HRH3CYP2A6RORCTSHRHSD17B10
SCHEMBL14046549 0.89 SIGMAR1 (0.51) SIGMAR1HRH3CYP2A6RORCTMEM97
SCHEMBL4664138 0.89 HRH3 (0.55) SIGMAR1HRH3CYP2A6RORCTMEM97
SCHEMBL2201741 0.82 RORC (0.48) HRH3CYP2A6RORCTSHRHSD17B10
SCHEMBL19088665 0.81 HRH3 (0.64) HRH3CYP2A6RORCTSHRHSD17B10
SCHEMBL15831721 0.81 HRH3 (0.59) HRH3CYP2A6RORCTSHRHSD17B10
SCHEMBL10990552 0.81 TSHR (0.57) HRH3CYP2A6RORCTSHRHSD17B10
SCHEMBL2206045 0.81 HRH3 (0.46) SIGMAR1HRH3CXCR4

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977512-B2 Amine derivative, and production method and use thereof KUREHA CORPORATION (JP) 2011-07-12 US claimed
US-20080293951-A1 Amin Derivative, and Production Method and Use Thereof KUREHA CORPORATION 2008-11-27 US claimed
EP-1724263-B1 BASIC AMINE COMPOUND AND USE THEREOF KUREHA CORP (JP) 2014-03-05 EP disclosed
US-7977512-B2 Amine derivative, and production method and use thereof KUREHA CORPORATION (JP) 2011-07-12 US disclosed
US-7977512-B2 Amine derivative, and production method and use thereof KUREHA CORPORATION (JP) 2011-07-12 US disclosed
US-7932281-B2 Amine-based compound and use thereof KUREHA CORPORATION (JP) 2011-04-26 US disclosed
US-20080293951-A1 Amin Derivative, and Production Method and Use Thereof KUREHA CORPORATION 2008-11-27 US disclosed
US-20080293951-A1 Amin Derivative, and Production Method and Use Thereof KUREHA CORPORATION 2008-11-27 US disclosed
US-20070208007-A1 Amine-Based Compound and Use Thereof KUREHA CORPORATION (JP) 2007-09-06 US disclosed
EP-1724263-A1 BASIC AMINE COMPOUND AND USE THEREOF Kureha Corporation (JP) 2006-11-22 EP 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-20080293951-A1 Amin Derivative, and Production Method and Use Thereof BCAT2, BCAT1, MRPL9 SIGMAR1 180/4885HRH3 132/4885CYP2A6 436/4885
US-20070208007-A1 Amine-Based Compound and Use Thereof NR0B2, NR5A2, NR2E1 SIGMAR1 204/4885HRH3 64/4885CYP2A6 36/4885

“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.