SCHEMBL1769207

SCHEMBL1769207

CCOC(=O)C1(c2ccc(N)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.58
OPRD1 P41143 3/20 0.56
OPRK1 P41145 3/20 0.56
SLC22A1 O15245 1/20 0.56
SLC6A4 P31645 1/20 0.56
ADRA1A P35348 1/20 0.56
KCNH2 Q12809 1/20 0.56
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAOA P21397 1/20 0.50

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 SCHEMBL12273573 0.98 OPRM1 (0.61) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL28305036 0.94 OPRM1 (0.56) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL12273671 0.94 OPRM1 (0.56) OPRM1OPRD1OPRK1SLC22A1SLC6A4
Hydrochloric Acid SCHEMBL12273066 0.92 OPRM1 (0.58) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL22992467 0.90 OPRM1 (0.52) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL28523959 0.86 OPRM1 (0.48) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL10318609 0.85 OPRM1 (0.60) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL22992533 0.84 OPRM1 (0.47) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL24220122 0.83 OPRM1 (0.76) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL1510 0.83 OPRM1 (0.58) OPRM1OPRD1OPRK1SLC22A1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022148196-A1 MULTIKINASE INHIBITOR AND USE THEREOF 苏州安睿药业有限公司 2022-07-14 WO disclosed
US-11364220-B2 Compounds and methods for inhibiting CPY26 enzymes QUEEN'S UNIVERSITY AT KINGSTON (CA) 2022-06-21 US disclosed
US-20210220326-A1 Compounds and Methods for Inhibiting CPY26 Enzymes QUEEN'S UNIVERSITY AT KINGSTON (CA) 2021-07-22 US disclosed
US-10874634-B2 Compounds and methods for inhibiting CYP26 enzymes QUEEN'S UNIVERSITY AT KINGSTON (CA) 2020-12-29 US disclosed
EP-2504314-B1 QUINAZOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-08-05 EP disclosed
CN-102648178-B Quinazoline derivatives MERCK PATENT GMBH 2015-01-07 CN disclosed
US-8906930-B2 Quinazoline derivatives MERCK PATENT GMBH (DE) 2014-12-09 US disclosed
US-8906930-B2 Quinazoline derivatives MERCK PATENT GMBH (DE) 2014-12-09 US disclosed
US-8906930-B2 Quinazoline derivatives MERCK PATENT GMBH (DE) 2014-12-09 US disclosed
US-20120238582-A1 QUINAZOLINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-09-20 US disclosed
US-20120238582-A1 QUINAZOLINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-09-20 US disclosed
US-20120238582-A1 QUINAZOLINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-09-20 US disclosed
CN-102648178-A Quinazoline derivatives MERCK PATENT GMBH 2012-08-22 CN disclosed
WO-2011060873-A1 QUINAZOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2011-05-26 WO disclosed
WO-2011061760-A1 NOVEL ANTITHROMBOTIC AGENTS CADILA HEALTHCARE LIMITED (IN) 2011-05-26 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 (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-10874634-B2 Compounds and methods for inhibiting CYP26 enzymes CYP26B1, CYP2A6, CYP26A1 OPRM1 3780/4885OPRD1 2982/4885OPRK1 2591/4885
US-11364220-B2 Compounds and methods for inhibiting CPY26 enzymes CYP2A6, CYP27A1, CYP26B1 OPRM1 4442/4885OPRD1 4159/4885OPRK1 3760/4885
US-20120238582-A1 QUINAZOLINE DERIVATIVES HSP90AB1, HSP90AA1, HSP90B1 OPRM1 2492/4885OPRD1 1697/4885OPRK1 1444/4885
US-20210220326-A1 Compounds and Methods for Inhibiting CPY26 Enzymes CYP2A6, CYP27A1, CYP26B1 OPRM1 4340/4885OPRD1 4179/4885OPRK1 3633/4885

“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.