SCHEMBL13404648

SCHEMBL13404648

COC(=O)N1CCN(C(C)C)CC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2D6 P10635 3/20 0.46
HRH3 Q9Y5N1 12/20 0.44
KCNH2 Q12809 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
MGLL Q99685 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL12026534 0.92 CYP1A2 (0.46) CYP1A2CYP2C9CYP2D6HRH3KCNH2
SCHEMBL24444266 0.83 HRH3 (0.42) CYP1A2CYP2C9CYP2D6HRH3KCNH2
SCHEMBL20617537 0.83 L3MBTL1 (0.53) CYP1A2CYP2C9CYP2D6L3MBTL1ALDH1A1
SCHEMBL8603867 0.83
SCHEMBL17244903 0.81 HRH3 (0.43) CYP2D6HRH3KCNH2MGLL
SCHEMBL19084821 0.81 HRH3 (0.43) CYP2D6HRH3KCNH2MGLL
SCHEMBL681679 0.79 ALDH1A1 (0.56) MGLLALDH1A1MAPTKMT2AKDM4E
SCHEMBL19480264 0.78 CYP1A2 (0.47) CYP1A2CYP2C9CYP2D6L3MBTL1ALDH1A1
SCHEMBL2737190 0.78 HRH3 (0.58) CYP2D6HRH3KCNH2L3MBTL1ALDH1A1
SCHEMBL18712878 0.78 HRH3 (0.45) CYP1A2CYP2C9CYP2D6HRH3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037323-B2 Uracil derivatives as Mer-AXL inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
US-12037323-B2 Uracil derivatives as Mer-AXL inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
US-20240208993-A1 FIVE- AND SIX-MEMBERED COMPOUND, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITION AND USE THEREOF HANGZHOU POLYMED BIOPHARMACEUTICALS, INC. (CN) 2024-06-27 US disclosed
US-20240208993-A1 FIVE- AND SIX-MEMBERED COMPOUND, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITION AND USE THEREOF HANGZHOU POLYMED BIOPHARMACEUTICALS, INC. (CN) 2024-06-27 US disclosed
WO-2024054469-A1 ISOQUINOLONES AS PI3K INHIBITORS ONKURE, INC. (US) 2024-03-14 WO disclosed
US-11912714-B2 Spiropyrrolidine derived antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2024-02-27 US disclosed
US-11912714-B2 Spiropyrrolidine derived antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2024-02-27 US disclosed
US-11858945-B2 Alkyne-containing antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2024-01-02 US disclosed
US-11858945-B2 Alkyne-containing antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2024-01-02 US disclosed
WO-2023239710-A1 BENZOPYRIMIDIN-4(3H)-ONES AS PI3K INHIBITORS ONKURE, INC. (US) 2023-12-14 WO disclosed
US-10632128-B2 Compounds that inhibit Mcl-1 protein AMGEN INC. (US) 2020-04-28 US disclosed
US-20200055860-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC 2020-02-20 US disclosed
EP-3181567-B1 PYRAZOLOPYRIMIDINE COMPOUNDS AS KINASE INHIBITORS PRINCIPIA BIOPHARMA INC (US) 2019-03-20 EP disclosed
US-10023570-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2018-07-17 US disclosed
US-9994576-B2 Substituted pyrazolo[3,4-d]pyrimidines as kinase inhibitors PRINCIPIA BIOPHARMA INC. (US) 2018-06-12 US disclosed
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-20170096425-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2017-04-06 US disclosed
US-7705002-B2 Biaryls useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-27 US disclosed
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION 2009-08-27 US disclosed
US-20080090837-A1 Na channel and Ca channel antagonists; potentiation; side effects reduction; pains, epilepsy, neurodegenerative disorders, psychiatric disorders,movement disorders, neuroendocrine disorders etc.; 2-hydroxy-1-[4-[3-(2-hydroxyphenyl)phenyl]piperazin-1-yl]-4-methyl-pentan-1-one; VERTEX PHARMACEUTICALS INCORPORATED 2008-04-17 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 (11 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-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES JAK1, JAK2, JAK3 CYP1A2 3396/4885CYP2C9 3142/4885CYP2D6 3376/4885
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS PIK3R3, JAK2, JAK3 CYP1A2 1903/4885CYP2C9 1309/4885CYP2D6 1976/4885
US-20080090837-A1 Na channel and Ca channel antagonists; potentiation; side effects reduction; pains, epilepsy, neurodegenerative disorders, psychiatric disorders,movement disorders, neuroendocrine disorders etc.; 2-hydroxy-1-[4-[3-(2-hydroxyphenyl)phenyl]piperazin-1-yl]-4-methyl-pentan-1-one; CACNA1B, SCN1A, CACNA1S CYP1A2 2035/4885CYP2C9 3575/4885CYP2D6 2815/4885
US-12037323-B2 Uracil derivatives as Mer-AXL inhibitors MERTK, DAPK1, AXL CYP1A2 4663/4885CYP2C9 4871/4885CYP2D6 4743/4885
US-20170096425-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF CYP1A2 3702/4885CYP2C9 3533/4885CYP2D6 3133/4885
US-20200055860-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, ROR1 CYP1A2 3675/4885CYP2C9 4078/4885CYP2D6 3470/4885
US-11912714-B2 Spiropyrrolidine derived antiviral agents ACE, ACE2, PKD1 CYP1A2 1377/4885CYP2C9 263/4885CYP2D6 344/4885
US-10632128-B2 Compounds that inhibit Mcl-1 protein MCL1, BCL9, BCL2L1 CYP1A2 3986/4885CYP2C9 4156/4885CYP2D6 3804/4885
US-20240208993-A1 FIVE- AND SIX-MEMBERED COMPOUND, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITION AND USE THEREOF IRAK4, FLT3, IRAK2 CYP1A2 3385/4885CYP2C9 1974/4885CYP2D6 1140/4885
US-11858945-B2 Alkyne-containing antiviral agents ACE, SARS1, ACE2 CYP1A2 2959/4885CYP2C9 2032/4885CYP2D6 1303/4885
US-10023570-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, ROR1, BRAF CYP1A2 3702/4885CYP2C9 3533/4885CYP2D6 3133/4885

“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.