SCHEMBL14925560

SCHEMBL14925560

Cc1cccnc1C1CCC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 7/20 0.56
OPRM1 P35372 1/20 0.46
TRPV1 Q8NER1 1/20 0.44
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
PDE10A Q9Y233 1/20 0.39
HTR1A P08908 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
CXCR4 P61073 1/20 0.36
CYP11B2 P19099 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
SCHEMBL13450394 0.96 OPRL1 (0.60) OPRL1OPRM1TRPV1DRD2DRD4
SCHEMBL12818351 0.94 OPRL1 (0.61) OPRL1OPRM1TRPV1DRD2DRD4
SCHEMBL29210946 0.94 OPRL1 (0.61) OPRL1OPRM1TRPV1DRD2DRD4
SCHEMBL30137135 0.92 OPRL1 (0.59) OPRL1OPRM1TRPV1DRD2DRD4
SCHEMBL2614922 0.92 OPRL1 (0.59) OPRL1OPRM1TRPV1DRD2DRD4
SCHEMBL14434914 0.85 HTR1A (0.50) OPRL1OPRM1HTR1ASLC6A2SLC6A4
SCHEMBL12818117 0.85 OPRL1 (0.54) OPRL1OPRM1TRPV1DRD2DRD4
SCHEMBL20865902 0.83 OPRL1 (0.63) OPRL1OPRM1TRPV1DRD2DRD4
SCHEMBL3212767 0.83 HTR1A (0.55) OPRL1OPRM1HTR1ASLC6A2SLC6A4
SCHEMBL30416668 0.83 OPRL1 (0.63) OPRL1OPRM1TRPV1DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107787319-A Indazole derivatives as modulators of TNF activity UCB生物制药私人有限公司 2018-03-09 CN disclosed
CN-105814054-A Fused imidazole and pyrazole derivatives as modulators of TNF activity UCB生物制药私人有限公司 2016-07-27 CN disclosed
US-20160031868-A1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. 2016-02-04 US disclosed
US-20140296246-A1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. (US) 2014-10-02 US disclosed
EP-2594554-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2013-05-22 EP disclosed
US-20130116227-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-05-09 US disclosed
US-20130116227-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-05-09 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 (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-20130116227-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF MC2R, NR3C2, REN OPRL1 328/4885OPRM1 611/4885TRPV1 2298/4885
US-20160031868-A1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 OPRL1 3907/4885OPRM1 4100/4885TRPV1 3300/4885
US-20140296246-A1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 OPRL1 3907/4885OPRM1 4100/4885TRPV1 3300/4885

“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.