SCHEMBL13853705

SCHEMBL13853705

CNC(=O)N1CCC2(CC1)C(=O)NCN2c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 6/20 0.58
OPRM1 P35372 6/20 0.58
OPRL1 P41146 5/20 0.58
OPRD1 P41143 4/20 0.58
HSD17B10 Q99714 1/20 0.58
SLC18A3 Q16572 1/20 0.56
HTR2C P28335 1/20 0.55
DRD3 P35462 1/20 0.55
AVPR1A P37288 1/20 0.55
SLC6A9 P48067 1/20 0.55

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
SCHEMBL4981531 0.87 SLC6A9 (0.57) OPRK1OPRM1OPRL1OPRD1HSD17B10
SCHEMBL21688404 0.86 OPRK1 (0.57) OPRK1OPRM1OPRL1OPRD1HSD17B10
SCHEMBL21634299 0.86 HSD17B10 (0.62) OPRK1OPRM1OPRL1OPRD1HSD17B10
SCHEMBL318707 0.85 HSD17B10 (0.65) OPRK1OPRM1OPRL1OPRD1HSD17B10
SCHEMBL1761014 0.83 OPRL1 (0.64) OPRK1OPRM1OPRL1OPRD1HSD17B10
SCHEMBL5799198 0.82 OPRK1 (0.55) OPRK1OPRM1OPRL1OPRD1HSD17B10
SCHEMBL14263125 0.82 CCR3 (0.57) OPRK1OPRM1OPRL1OPRD1SLC18A3
SCHEMBL21634315 0.82 HSD17B10 (0.60) OPRK1OPRM1OPRL1OPRD1HSD17B10
SCHEMBL14543210 0.82 HSD17B10 (0.60) OPRK1OPRM1OPRL1OPRD1HSD17B10
SCHEMBL21634302 0.82 SLC18A3 (0.61) OPRK1OPRM1OPRL1OPRD1SLC18A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354418-B2 Thiazolyl-dihydro-quinazolines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-15 US disclosed
US-20090131424-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-21 US disclosed
US-7517995-B2 Thiazolyl-dihydro-cyclopentapyrazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-14 US disclosed
US-20070259855-A1 THIAZOLYL-DIHYDRO-INDAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-08 US disclosed
US-20070238746-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 US disclosed
US-20070238730-A1 THIAZOLYL-DIHYDRO-CYCLOPENTAPYRAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 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 (4 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-20070259855-A1 THIAZOLYL-DIHYDRO-INDAZOLE ROR1, RORB, RORA OPRK1 1491/4885OPRM1 2160/4885OPRL1 3263/4885
US-20070238746-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE CYP3A7, UGT2B7, UGT1A7 OPRK1 872/4885OPRM1 1050/4885OPRL1 2366/4885
US-20090131424-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE CYP3A7, UGT2B7, UGT1A7 OPRK1 872/4885OPRM1 1050/4885OPRL1 2366/4885
US-20070238730-A1 THIAZOLYL-DIHYDRO-CYCLOPENTAPYRAZOLE REN, ROR1, RORB OPRK1 1052/4885OPRM1 1527/4885OPRL1 2878/4885

“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.