SCHEMBL2616319

SCHEMBL2616319

CN(c1ccc(Cl)cc1)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.46
PROKR1 Q8TCW9 1/20 0.46
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CHKA P35790 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
CYP2A6 P11509 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTR1A P08908 2/20 0.35
HTR7 P34969 2/20 0.35
LSS P48449 1/20 0.34

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
SCHEMBL2092295 0.86 NOS2 (0.44) FPR2PROKR1ALDH1A1KDM4EHPGD
SCHEMBL2056120 0.85 HTR2A (0.56) FPR2PROKR1L3MBTL1HTR2AHTR2C
SCHEMBL3717754 0.77 CYP2A6 (0.36) ALDH1A1HTR2AHTR2CMAPTHTT
SCHEMBL3720637 0.77 APP (0.42) ALDH1A1KDM4EHPGDALOX15HSD17B10
SCHEMBL22314754 0.77 ALDH1A1 (0.52) FPR2PROKR1ALDH1A1KDM4EALOX15
SCHEMBL5480634 0.77 DDB1 (0.50) HTR2AHTR2CHTR1AHTR7
SCHEMBL5791711 0.77 APP (0.42) FPR2PROKR1ALDH1A1ALOX15HSD17B10
SCHEMBL14438088 0.77 FPR2 (0.46) FPR2PROKR1ALDH1A1KDM4EHPGD
SCHEMBL1720308 0.76 HTT (0.41) ALDH1A1KDM4ELMNAMAPTHTT
SCHEMBL4485887 0.76 HRH4 (0.44) ALDH1A1KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103781763-A Amine derivatives as potassium channel blockers BIONOMICS LTD 2014-05-07 CN disclosed
US-8202858-B2 Vasopressin V1a antagonists VANTIA LIMITED (GB) 2012-06-19 US disclosed
US-8202858-B2 Vasopressin V1a antagonists VANTIA LIMITED (GB) 2012-06-19 US disclosed
US-20120101082-A1 VASOPRESSIN V1A ANTAGONISTS BATT ANDRZEJ ROMAN (GB) 2012-04-26 US disclosed
US-20120101082-A1 VASOPRESSIN V1A ANTAGONISTS BATT ANDRZEJ ROMAN (GB) 2012-04-26 US disclosed
CN-102348686-A Bis aromatic compounds for use as ltc4 synthase inhibitors BIOLIPOX AB (SE) 2012-02-08 CN disclosed
EP-2264037-A1 Vasopressin v1a antagonists Vantia Limited (GB) 2010-12-22 EP disclosed
US-20090029965-A1 Vasopressin V1a Antagonists FERRING B.V. (NL) 2009-01-29 US disclosed
US-20090029965-A1 Vasopressin V1a Antagonists FERRING B.V. (NL) 2009-01-29 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-20120101082-A1 VASOPRESSIN V1A ANTAGONISTS AVPR1A, AVPR2, AVPR1B FPR2 2379/4885PROKR1 18/4885ALDH1A1 902/4885
US-20090029965-A1 Vasopressin V1a Antagonists AVPR1A, AVPR2, AVPR1B FPR2 2379/4885PROKR1 18/4885ALDH1A1 902/4885

“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.