SCHEMBL1013248

SCHEMBL1013248

CC(C)(CO)c1cc(N)on1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.38
CNR1 P21554 6/20 0.38
HMGCR P04035 1/20 0.32
NUDT1 P36639 1/20 0.32
RPS6KA2 Q15349 1/20 0.30
ALDH1A1 P00352 2/20 0.30
KDR P35968 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
BLM P54132 1/20 0.30

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
SCHEMBL2676735 0.82 MAPK14 (0.37) CNR2HMGCRALDH1A1KDRKDM4E
SCHEMBL13391465 0.79 HMGCR (0.33) HMGCR
SCHEMBL9947014 0.78 CNR2 (0.39) CNR2CNR1ALDH1A1MAPT
SCHEMBL1012596 0.78 CNR2 (0.39) CNR2CNR1
SCHEMBL17796648 0.78 CYP1A2 (0.38) CNR2CNR1ALDH1A1KDRKDM4E
SCHEMBL431491 0.77 ALDH1A1 (0.42) CNR2ALDH1A1KDRKDM4EMAPT
SCHEMBL9891487 0.77 EGFR (0.42) CNR2CNR1ALDH1A1
SCHEMBL9713593 0.77 CNR2 (0.32) CNR2CNR1
SCHEMBL9892807 0.76 CNR2 (0.37) CNR2CNR1
SCHEMBL14723928 0.76 CNR2 (0.40) CNR2CNR1HMGCRALDH1A1

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 74 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240158384-A1 CB2 RECEPTOR AGONISTS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2024-05-16 US disclosed
US-20240092769-A1 (CYANO-DIMETHYL-METHYL)-ISOXAZOLES AND -[1,3,4]THIADIAZOLES ANKURA TRUST COMPANY, LLC, AS ADMINISTRATIVE AND COLLATERAL AGENT 2024-03-21 US disclosed
US-11725004-B2 (Cyano-dimethyl-methyl)-isoxazoles and -[1,3,4]thiadiazoles CENTREXION THERAPEUTICS CORPORATION (US) 2023-08-15 US disclosed
WO-2022132803-A1 CB2 RECEPTOR AGONISTS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2022-06-23 WO disclosed
WO-2022132803-A1 CB2 RECEPTOR AGONISTS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2022-06-23 WO disclosed
US-20220135554-A1 NOVEL (CYANO-DIMETHYL-METHYL)-ISOXAZOLES AND -[1,3,4]THIADIAZOLES ANKURA TRUST COMPANY, LLC, AS ADMINISTRATIVE AND COLLATERAL AGENT 2022-05-05 US disclosed
US-11084810-B2 (Cyano-dimethyl-methyl)-isoxazoles and -[1,3,4]thiadiazoles CENTREXION THERAPEUTICS CORPORATION (US) 2021-08-10 US disclosed
US-20200262830-A1 NOVEL (CYANO-DIMETHYL-METHYL)-ISOXAZOLES AND -[1,3,4]THIADIAZOLES ANKURA TRUST COMPANY, LLC, AS ADMINISTRATIVE AND COLLATERAL AGENT 2020-08-20 US disclosed
US-10570125-B2 (Cyano-dimethyl-methyl)-isoxazoles and -[1,3,4]thiadiazoles CENTREXION THERAPEUTICS CORPORATION (US) 2020-02-25 US disclosed
US-20190161481-A1 Novel (Cyano-Dimethyl-Methyl)-Isoxazoles and -[1,3,4]Thiadiazoles ANKURA TRUST COMPANY, LLC, AS ADMINISTRATIVE AND COLLATERAL AGENT 2019-05-30 US disclosed
WO-2011022473-A1 BIARYL COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2011-02-24 WO disclosed
EP-2268623-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2011-01-05 EP disclosed
WO-2010077836-A2 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-08 WO disclosed
WO-2010077836-A2 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-08 WO disclosed
US-20100081644-A1 Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 US disclosed
US-20100081644-A1 Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 US disclosed
US-20100081644-A1 Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 US disclosed
WO-2010036630-A2 COMPOUNDS WHICH SELECTIVELY MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO disclosed
WO-2010036630-A2 COMPOUNDS WHICH SELECTIVELY MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO disclosed
WO-2009117080-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATON (US) 2009-09-24 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 (9 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-20200262830-A1 NOVEL (CYANO-DIMETHYL-METHYL)-ISOXAZOLES AND -[1,3,4]THIADIAZOLES CNR1, CNR2, GPR18 CNR2 2/4885CNR1 1/4885HMGCR 3429/4885
US-20240158384-A1 CB2 RECEPTOR AGONISTS CNR2, CNR1, OPRK1 CNR2 1/4885CNR1 2/4885HMGCR 3693/4885
US-11725004-B2 (Cyano-dimethyl-methyl)-isoxazoles and -[1,3,4]thiadiazoles CNR1, CNR2, GPR18 CNR2 2/4885CNR1 1/4885HMGCR 3061/4885
US-20100081644-A1 Compounds Which Selectively Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CNR2 1/4885CNR1 2/4885HMGCR 3504/4885
US-20240092769-A1 (CYANO-DIMETHYL-METHYL)-ISOXAZOLES AND -[1,3,4]THIADIAZOLES CNR1, CNR2, GPR18 CNR2 2/4885CNR1 1/4885HMGCR 3061/4885
US-10570125-B2 (Cyano-dimethyl-methyl)-isoxazoles and -[1,3,4]thiadiazoles CNR1, CNR2, GPR18 CNR2 2/4885CNR1 1/4885HMGCR 3061/4885
US-11084810-B2 (Cyano-dimethyl-methyl)-isoxazoles and -[1,3,4]thiadiazoles CNR1, CNR2, GPR18 CNR2 2/4885CNR1 1/4885HMGCR 3061/4885
US-20190161481-A1 Novel (Cyano-Dimethyl-Methyl)-Isoxazoles and -[1,3,4]Thiadiazoles CNR1, CNR2, GPR18 CNR2 2/4885CNR1 1/4885HMGCR 3429/4885
US-20220135554-A1 NOVEL (CYANO-DIMETHYL-METHYL)-ISOXAZOLES AND -[1,3,4]THIADIAZOLES CNR1, CNR2, GPR18 CNR2 2/4885CNR1 1/4885HMGCR 3429/4885

“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.