SCHEMBL9963282

SCHEMBL9963282

CC(C)N1CCC2(CC1)C(=O)Nc1ccccc12

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.54
OPRK1 P41145 1/20 0.54
OPRL1 P41146 1/20 0.54
CYP2D6 P10635 1/20 0.53
BACE1 P56817 1/20 0.51
HTR1A P08908 12/20 0.50
HTR2A P28223 12/20 0.50
HTR7 P34969 12/20 0.50
HTR6 P50406 12/20 0.50
TNKS O95271 1/20 0.46
TNKS2 Q9H2K2 1/20 0.46
PDK2 Q15119 1/20 0.45
PDK4 Q16654 1/20 0.45
MAPK1 P28482 1/20 0.45
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43

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
SCHEMBL25900029 0.91 OPRM1 (0.52) OPRM1OPRK1OPRL1CYP2D6BACE1
SCHEMBL25361298 0.85 OPRM1 (0.52) OPRM1OPRK1OPRL1BACE1HTR1A
SCHEMBL25361300 0.85 OPRM1 (0.52) OPRM1OPRK1OPRL1BACE1HTR1A
SCHEMBL30676296 0.84 OPRM1 (0.51) OPRM1OPRK1OPRL1BACE1HTR1A
SCHEMBL6635126 0.83 HTR1A (0.49) OPRM1OPRK1OPRL1BACE1HTR1A
SCHEMBL1700315 0.83 OPRM1 (0.58) OPRM1OPRK1OPRL1CYP2D6BACE1
SCHEMBL13640931 0.83 OPRM1 (0.59) OPRM1OPRK1OPRL1BACE1HTR1A
SCHEMBL9963283 0.82 CYP2D6 (0.43) OPRM1OPRK1OPRL1CYP2D6TNKS
SCHEMBL20437948 0.82 CYP2D6 (0.53) OPRM1OPRK1OPRL1CYP2D6BACE1
SCHEMBL25900344 0.81 CYP1A2 (0.47) CYP2D6MGAMGAASIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265096-A1 APOL1 INHIBITORS AND METHODS OF USE HERCULES CAPITAL, INC., AS AGENT 2023-08-24 US disclosed
US-20230265096-A1 APOL1 INHIBITORS AND METHODS OF USE HERCULES CAPITAL, INC., AS AGENT 2023-08-24 US disclosed
WO-2023141432-A2 APOL1 INHIBITORS AND METHODS OF USE MAZE THERAPEUTICS, INC. (US) 2023-07-27 WO disclosed
US-10703757-B2 Compounds and methods for CDK8 modulation and indications therefor PLEXXIKON INC. (US) 2020-07-07 US disclosed
US-10308614-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-06-04 US disclosed
US-20180215763-A1 COMPOUNDS AND METHODS FOR CDK8 MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2018-08-02 US disclosed
US-20180215763-A1 COMPOUNDS AND METHODS FOR CDK8 MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2018-08-02 US disclosed
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-03-29 US disclosed
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-03-29 US disclosed
US-8354403-B2 Pyrrolidine derived beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-01-15 US disclosed
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-06-21 US disclosed
WO-2011025690-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2011-03-03 WO disclosed
US-7629353-B2 Indol-3-yl-carbonyl-spiro-piperidine derivatives as V1a receptor antagonists HOFFMAN-LA ROCHE INC. (US) 2009-12-08 US disclosed
US-7629353-B2 Indol-3-yl-carbonyl-spiro-piperidine derivatives as V1a receptor antagonists HOFFMAN-LA ROCHE INC. (US) 2009-12-08 US disclosed
EP-1904477-B1 INDOL-3-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS V1A RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2009-01-21 EP disclosed
WO-2008060621-A2 AMINOPYRROLIDINES AS CHEMOKINE RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 2008-05-22 WO disclosed
US-7332501-B2 Indol-3-yl-carbonyl-spiro-piperidine derivatives as V1a receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2008-02-19 US disclosed
US-7332501-B2 Indol-3-yl-carbonyl-spiro-piperidine derivatives as V1a receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2008-02-19 US disclosed
US-20070027173-A1 Indol-3-yl-carbonyl-spiro-piperidine derivatives as Vla receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 2007-02-01 US disclosed
US-20070027173-A1 Indol-3-yl-carbonyl-spiro-piperidine derivatives as Vla receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 2007-02-01 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 (7 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-20070027173-A1 Indol-3-yl-carbonyl-spiro-piperidine derivatives as Vla receptor antagonists AVPR1A, AVPR2, AVPR1B OPRM1 25/4885OPRK1 10/4885OPRL1 8/4885
US-20230265096-A1 APOL1 INHIBITORS AND METHODS OF USE APOL1, APOB, LDLR OPRM1 683/4885OPRK1 1495/4885OPRL1 122/4885
US-10703757-B2 Compounds and methods for CDK8 modulation and indications therefor CDK8, CDK7, CDK18 OPRM1 3421/4885OPRK1 2527/4885OPRL1 3862/4885
US-10308614-B2 Therapeutic compounds and uses thereof SMARCC1, SMARCC2, SMARCA4 OPRM1 2267/4885OPRK1 3306/4885OPRL1 2990/4885
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF SMARCC1, SMARCC2, SMARCA4 OPRM1 2267/4885OPRK1 3306/4885OPRL1 2990/4885
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 OPRM1 52/4885OPRK1 15/4885OPRL1 38/4885
US-20180215763-A1 COMPOUNDS AND METHODS FOR CDK8 MODULATION AND INDICATIONS THEREFOR CDK8, CDK7, CDK18 OPRM1 3421/4885OPRK1 2527/4885OPRL1 3862/4885

“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.