SCHEMBL15845263

SCHEMBL15845263

CC1(N2CCC(n3c(C4CCCNC4)nc4ccccc43)CC2)CCCCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 17/20 1.00
OPRL1 P41146 17/20 1.00
OPRK1 P41145 12/20 1.00
OPRD1 P41143 8/20 1.00
OGFRL1 Q5TC84 1/20 0.57
CHRM1 P11229 2/20 0.48
HRH1 P35367 2/20 0.48
KCNH2 Q12809 1/20 0.46

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
SCHEMBL29430169 1.00 OPRM1 (1.00) OPRM1OPRL1OPRK1OPRD1OGFRL1
SCHEMBL27056686 1.00 OPRM1 (1.00) OPRM1OPRL1OPRK1OPRD1OGFRL1
SCHEMBL15794718 1.00 OPRM1 (1.00) OPRM1OPRL1OPRK1OPRD1OGFRL1
Hydrochloric Acid SCHEMBL30878107 0.99 OPRM1 (0.98) OPRM1OPRL1OPRK1OPRD1OGFRL1
Hydrochloric Acid SCHEMBL31536440 0.98 OPRM1 (0.96) OPRM1OPRL1OPRK1OPRD1OGFRL1
SCHEMBL7091113 0.88 OPRM1 (0.79) OPRM1OPRL1OPRK1OPRD1OGFRL1
SCHEMBL7091312 0.80 OPRL1 (0.74) OPRM1OPRL1OPRK1OPRD1OGFRL1
SCHEMBL16127794 0.80 OPRM1 (0.66) OPRM1OPRL1OPRK1OPRD1OGFRL1
SCHEMBL17512101 0.80 OPRM1 (0.66) OPRM1OPRL1OPRK1OPRD1OGFRL1
SCHEMBL16103600 0.79 OPRL1 (0.66) OPRM1OPRL1OPRK1OPRD1OGFRL1

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
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF THE BROAD INSTITUTE, INC. 2023-06-22 US disclosed
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF THE BROAD INSTITUTE, INC. 2023-06-22 US disclosed
US-9598411-B2 Substituted benzimidazole-type piperidine compounds and uses thereof PURDUE PHARMA L.P. (US) 2017-03-21 US disclosed
US-20150322066-A1 SUBSTITUTED BENZIMIDAZOLE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF PURDUE PHARMA L.P. 2015-11-12 US disclosed
US-9090618-B2 Substituted benzimidazole-type piperidine compounds and uses thereof PURDUE PHARMA L.P. (US) 2015-07-28 US disclosed
US-20140187535-A1 SUBSTITUTED BENZIMIDAZOLE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF SHIONOGI & CO., LTD. (JP) 2014-07-03 US disclosed
WO-2014102594-A2 SUBSTITUTED BENZIMIDAZOLE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF PURDUE PHARMA L.P. (US) 2014-07-03 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 (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-20140187535-A1 SUBSTITUTED BENZIMIDAZOLE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF H1-0, H1-3, CACNA1A OPRM1 35/4885OPRL1 181/4885OPRK1 27/4885
US-20150322066-A1 SUBSTITUTED BENZIMIDAZOLE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF H1-0, H1-3, CACNA1A OPRM1 35/4885OPRL1 181/4885OPRK1 27/4885
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF ERBB2, ACP1, TK1 OPRM1 2668/4885OPRL1 2460/4885OPRK1 1655/4885

“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.