SCHEMBL9064

SCHEMBL9064

CCC(=O)NCCC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
SIGMAR1 Q99720 2/20 0.50
MLYCD O95822 1/20 0.41
RECQL P46063 1/20 0.38
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
CASP2 P42575 1/20 0.34
MCL1 Q07820 1/20 0.34

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
SCHEMBL7750774 0.86 MEN1 (0.67) MEN1KMT2ASIGMAR1RECQLMTNR1A
SCHEMBL25083434 0.85 KMT2A (0.52) MEN1KMT2ASIGMAR1RECQLCASP2
SCHEMBL18513030 0.85 MEN1 (0.71) MEN1KMT2ASIGMAR1RECQLCASP2
SCHEMBL9794 0.84 MEN1 (0.56) MEN1KMT2ASIGMAR1RECQLMTNR1A
SCHEMBL26469321 0.83 MEN1 (0.68) MEN1KMT2ARECQLCASP2
SCHEMBL20000768 0.82 CASP2 (0.55) KMT2ASIGMAR1CASP2
SCHEMBL24489203 0.81 MEN1 (0.44) MEN1KMT2ASIGMAR1RECQLMTNR1A
SCHEMBL20198781 0.81 SIGMAR1 (0.50) MEN1KMT2ASIGMAR1MLYCD
SCHEMBL17471845 0.81 SIGMAR1 (0.50) MEN1KMT2ASIGMAR1MLYCDRECQL
SCHEMBL21016292 0.81 SIGMAR1 (0.50) MEN1KMT2ASIGMAR1MLYCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018002-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC (US) 2024-06-25 US disclosed
US-11685742-B2 Anti-tumor compound and preparation method and use thereof DUALITY BIOLOGICS (SUZHOU) CO., LTD. (CN) 2023-06-27 US disclosed
US-11685714-B2 Prodrugs of cytotoxic active agents having enzymatically cleavable groups BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2023-06-27 US disclosed
US-20230132202-A1 Polymeric Binder and High Molecular Weight Polymer Antifouling Compositions THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2023-04-27 US disclosed
US-20230043970-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC 2023-02-09 US disclosed
US-11208388-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC (US) 2021-12-28 US disclosed
US-20190077752-A1 PRODRUGS OF CYTOTOXIC ACTIVE AGENTS HAVING ENZYMATICALLY CLEAVABLE GROUPS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-03-14 US disclosed
US-20180148472-A1 AFFINITY-ASSISTED PROTEIN MODIFICATION AND RECYCLING THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2018-05-31 US disclosed
US-20180147326-A1 Antifouling Polymeric Coating Compositions THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2018-05-31 US disclosed
US-9296698-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2016-03-29 US disclosed
US-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2012-12-27 US disclosed
US-20120316173-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-13 US disclosed
EP-2504315-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2012-10-03 EP disclosed
US-8188071-B2 Amino substituted pyridines as potent kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed
WO-2011063233-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-26 WO disclosed
US-20090124602-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-05-14 US disclosed
US-20090082369-A1 Pyrrolo[2,3d]pyrimidine compositions and their use OSI PHARMACEUTICALS, INC. 2009-03-26 US disclosed
US-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof OSI PHARMACEUTICALS, INC. 2008-03-20 US disclosed
US-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof OSI PHARMACEUTICALS, INC. 2008-03-20 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 (12 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-20230043970-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, PIK3CA, PLK1 MEN1 440/4885KMT2A 797/4885SIGMAR1 3758/4885
US-12018002-B2 Certain chemical entities, compositions, and methods BRAF, PIK3CA, PLK1 MEN1 440/4885KMT2A 797/4885SIGMAR1 3758/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 MEN1 1427/4885KMT2A 1042/4885SIGMAR1 4398/4885
US-11685714-B2 Prodrugs of cytotoxic active agents having enzymatically cleavable groups BUB1B, KIF5B, TK1 MEN1 1660/4885KMT2A 2705/4885SIGMAR1 4572/4885
US-11208388-B2 Certain chemical entities, compositions, and methods BRAF, PIK3CA, PLK1 MEN1 440/4885KMT2A 797/4885SIGMAR1 3758/4885
US-20120316173-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR CNR2, CNR1, OPRL1 MEN1 4811/4885KMT2A 3720/4885SIGMAR1 210/4885
US-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use BACE1, BACE2, APP MEN1 4400/4885KMT2A 1441/4885SIGMAR1 3065/4885
US-20090082369-A1 Pyrrolo[2,3d]pyrimidine compositions and their use ADORA3, ADORA2A, ADORA1 MEN1 3205/4885KMT2A 1854/4885SIGMAR1 1291/4885
US-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 MEN1 1223/4885KMT2A 2532/4885SIGMAR1 479/4885
US-11685742-B2 Anti-tumor compound and preparation method and use thereof RCC2, REN, VHL MEN1 6/4885KMT2A 3583/4885SIGMAR1 4538/4885
US-20190077752-A1 PRODRUGS OF CYTOTOXIC ACTIVE AGENTS HAVING ENZYMATICALLY CLEAVABLE GROUPS BUB1B, KIF5B, TK1 MEN1 1660/4885KMT2A 2705/4885SIGMAR1 4572/4885
US-20180148472-A1 AFFINITY-ASSISTED PROTEIN MODIFICATION AND RECYCLING MRPL21, ACP1, MAX MEN1 3158/4885KMT2A 1934/4885SIGMAR1 4203/4885

“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.