SCHEMBL17586458

SCHEMBL17586458

CN1CCC2(CC1)OCc1ccc(Br)cc12

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
CHRNA7 P36544 1/20 0.38
AVPR1A P37288 1/20 0.37

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
SCHEMBL25867739 0.92 CHRNA7 (0.35) OPRD1SIGMAR1CHRNA7AVPR1A
SCHEMBL31515349 0.86 KDM1A (0.40) OPRD1SIGMAR1
SCHEMBL25866229 0.85 BRD4 (0.34) OPRD1
SCHEMBL30954699 0.83 KDM1A (0.38) OPRD1SIGMAR1
SCHEMBL11834433 0.81 AVPR1A (0.45) SIGMAR1AVPR1A
SCHEMBL30954718 0.80 LMNA (0.41) OPRD1AVPR1A
SCHEMBL17586442 0.80 CTSC (0.40) OPRD1SIGMAR1
SCHEMBL30954707 0.79 BACE1 (0.39) OPRD1
SCHEMBL18373201 0.79 HTR2C (0.40) SIGMAR1
SCHEMBL6919513 0.78 SIGMAR1 (0.57) OPRD1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023134656-A1 PEPTIDYL NITRILE COMPOUND AND USE THEREOF 上海壹典医药科技开发有限公司 2023-07-20 WO disclosed
US-RE47636-E1 Substituted spirocycles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-10-08 US disclosed
EP-3191487-B1 SPIROCYCLIC INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2019-08-07 EP disclosed
EP-3511331-A1 SPIROCYCLIC INHIBITORS OF CATHEPSIN C Boehringer Ingelheim International GmbH (DE) 2019-07-17 EP disclosed
US-9879026-B2 Substituted spirocycles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-01-30 US disclosed
US-9879026-B2 Substituted spirocycles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-01-30 US disclosed
US-20170073352-A1 NOVEL SUBSTITUTED SPIROCYCLES BOEHRINGER INGELHEIM INT (DE) 2017-03-16 US disclosed
US-20170073352-A1 NOVEL SUBSTITUTED SPIROCYCLES BOEHRINGER INGELHEIM INT (DE) 2017-03-16 US disclosed
US-9540373-B2 Substituted spirocycles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-01-10 US disclosed
US-9540373-B2 Substituted spirocycles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-01-10 US disclosed
US-20160075704-A1 NOVEL SUBSTITUTED SPIROCYCLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-03-17 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-20160075704-A1 NOVEL SUBSTITUTED SPIROCYCLES CTSC, CTSE, CTSS OPRD1 1610/4885SIGMAR1 2679/4885CHRNA7 4405/4885
US-20170073352-A1 NOVEL SUBSTITUTED SPIROCYCLES CTSC, CTSE, CTSS OPRD1 1610/4885SIGMAR1 2679/4885CHRNA7 4405/4885

“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.