SCHEMBL17586459

SCHEMBL17586459

CN1CCCC2(C1)C(=O)N(C)c1ccc(Br)cc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.41
OPRL1 P41146 5/20 0.41
OPRK1 P41145 4/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
OPRD1 P41143 1/20 0.41
TP53 P04637 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KCNK2 O95069 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
CTSC P53634 1/20 0.39
IP6K1 Q92551 1/20 0.38
PKM P14618 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
BACE1 P56817 2/20 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
SCHEMBL31757856 1.00 OPRM1 (0.41) OPRM1OPRL1OPRK1MAPTLMNA
SCHEMBL30954723 0.86 OPRM1 (0.46) OPRM1OPRL1OPRK1MAPTLMNA
SCHEMBL30954712 0.86 KCNK2 (0.47) OPRM1OPRL1OPRK1MAPTLMNA
SCHEMBL17584777 0.83 OPRM1 (0.47) OPRM1OPRL1OPRK1MAPTLMNA
SCHEMBL15560244 0.83 MAPT (0.48) OPRM1OPRL1OPRK1MAPTLMNA
SCHEMBL31758725 0.82 MAPT (0.45) OPRM1OPRL1OPRK1MAPTLMNA
SCHEMBL17584768 0.79 MAPT (0.41) OPRM1OPRL1OPRK1MAPTLMNA
SCHEMBL31758493 0.79 USP30 (0.43) MAPTLMNATP53KMT2ASMN1; SMN2
SCHEMBL17586461 0.79 USP30 (0.43) MAPTLMNATP53KMT2ASMN1; SMN2
SCHEMBL21172974 0.77 CTSC (0.49) OPRM1OPRL1OPRK1OPRD1CTSC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 OPRM1 2695/4885OPRL1 1687/4885OPRK1 1147/4885
US-20170073352-A1 NOVEL SUBSTITUTED SPIROCYCLES CTSC, CTSE, CTSS OPRM1 2695/4885OPRL1 1687/4885OPRK1 1147/4885

“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.