SCHEMBL10141610

SCHEMBL10141610

CCOc1ccc(C(C)C)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
ACACB O00763 9/20 0.47
OXTR P30559 1/20 0.41
FFAR1 O14842 1/20 0.40
CHRNA7 P36544 1/20 0.40
POLB P06746 1/20 0.38
CYP19A1 P11511 1/20 0.38
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PI4KA P42356 1/20 0.37
PIK3CG P48736 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
KRAS P01116 2/20 0.36
SOS1 Q07889 2/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 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
SCHEMBL10141613 0.85 ACACB (0.49) ACACBOXTRFFAR1GABRPGABRD
SCHEMBL19464667 0.85 MAPT (0.46) MAPTACACBFFAR1CHRNA7CYP19A1
SCHEMBL14480391 0.85 MAPT (0.46) MAPTACACBFFAR1CHRNA7CYP19A1
SCHEMBL17000189 0.85 MAPT (0.46) MAPTACACBOXTRFFAR1CHRNA7
SCHEMBL12392142 0.85 MAPT (0.46) MAPTACACBFFAR1CHRNA7CYP19A1
SCHEMBL14269840 0.84 ACACB (0.38) MAPTACACBOXTRFFAR1
Hydrochloric Acid SCHEMBL14480263 0.83 MAPT (0.45) MAPTACACBFFAR1CHRNA7CYP19A1
SCHEMBL10141615 0.83 ACACB (0.42) MAPTACACBOXTRPOLBGABRP
SCHEMBL17658893 0.82 GABRP (0.42) MAPTACACBOXTRFFAR1GABRP
SCHEMBL20032367 0.82 MAPT (0.47) MAPTACACBFFAR1CHRNA7CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322721-A1 TRIAZOLE DERIVATIVES AND THEIR USE AS TANKYRASE INHIBITORS UNIVERSITY OF OULU (FI) 2023-10-12 US disclosed
US-11634425-B2 Pharmaceutical compounds PFIZER INC. (US) 2023-04-25 US disclosed
WO-2023064343-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2023-04-20 WO disclosed
US-20220324866-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2022-10-13 US disclosed
WO-2021064570-A1 N-SUBSTUTUTED-6-OXO-1,6-DIHYDROPYRIMIDINE-2-YL DERIVATIVES AS INHIBITORS OF THE HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2021-04-08 WO disclosed
US-10807968-B2 Substituted 2-(het)arylimidazolylcarboxyamides as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-10-20 US disclosed
EP-3616753-A1 COMPOUNDS FOR MODULATING ADENOSINE A2B RECEPTOR AND ADENOSINE A2A RECEPTOR Corvus Pharmaceuticals, Inc. (US) 2020-03-04 EP disclosed
US-20200048221-A1 SUBSTITUTED 2-(HET)ARYLIMIDAZOLYLCARBOXYAMIDES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-02-13 US disclosed
US-10544124-B2 Substituted 2-(het)arylimidazolylcarboxyamides as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-01-28 US disclosed
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 US disclosed
US-20110237582-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2011-09-29 US disclosed
US-20110237582-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2011-09-29 US disclosed
US-20110189192-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME LLC 2011-08-04 US disclosed
US-20100216814-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. 2010-08-26 US disclosed
US-20100152163-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2010-06-17 US disclosed
WO-2010051501-A1 PYRIDO (4,3-B) INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. (US) 2010-05-06 WO disclosed
US-20100099667-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2010-04-22 US disclosed
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2009-10-29 US disclosed
WO-2009120720-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES,INC. (US) 2009-10-01 WO disclosed
WO-2009055828-A1 NEW TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES, INC. (US) 2009-04-30 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 (13 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-20200048221-A1 SUBSTITUTED 2-(HET)ARYLIMIDAZOLYLCARBOXYAMIDES AS PESTICIDES DDT, CYP4X1, CYP4Z1 MAPT 4737/4885ACACB 1675/4885OXTR 1205/4885
US-10807968-B2 Substituted 2-(het)arylimidazolylcarboxyamides as pesticides DDT, CYP4X1, CYP4Z1 MAPT 4737/4885ACACB 1675/4885OXTR 1205/4885
US-20230322721-A1 TRIAZOLE DERIVATIVES AND THEIR USE AS TANKYRASE INHIBITORS CBR3, GBA3, TECR MAPT 3413/4885ACACB 2929/4885OXTR 3211/4885
US-20220324866-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS DGKG, DGKB, DGKK MAPT 4206/4885ACACB 333/4885OXTR 4805/4885
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C MAPT 214/4885ACACB 4185/4885OXTR 739/4885
US-20100216814-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES HTR3B, HTR3D, HTR3A MAPT 204/4885ACACB 3859/4885OXTR 397/4885
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT MAPT 3241/4885ACACB 347/4885OXTR 4139/4885
US-20110189192-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAPK10 MAPT 3071/4885ACACB 3168/4885OXTR 4718/4885
US-20100152163-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE HTR2C, HTR5A, HTR4 MAPT 3676/4885ACACB 2915/4885OXTR 235/4885
US-20100099667-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C MAPT 298/4885ACACB 3452/4885OXTR 318/4885
US-11634425-B2 Pharmaceutical compounds GABRA6, CHRNA6, CNR1 MAPT 2305/4885ACACB 3291/4885OXTR 66/4885
US-10544124-B2 Substituted 2-(het)arylimidazolylcarboxyamides as pesticides DDT, CYP4X1, CYP4Z1 MAPT 4737/4885ACACB 1675/4885OXTR 1205/4885
US-20110237582-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C MAPT 214/4885ACACB 4185/4885OXTR 739/4885

“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.