SCHEMBL12424595

SCHEMBL12424595

CCC1CCN(C)C(=O)C1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 8/20 0.47
HTR5A P47898 1/20 0.37
BRD2 P25440 1/20 0.37
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
MAPK1 P28482 1/20 0.33
PIK3CD O00329 1/20 0.32
OPRL1 P41146 1/20 0.32
HTR1A P08908 1/20 0.32
ACHE P22303 2/20 0.32
ALOX15 P16050 1/20 0.31

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
SCHEMBL23132786 1.00 BRD4 (0.47) BRD4HTR5ABRD2NOS3NOS1
SCHEMBL16095176 0.86 BRD4 (0.46) BRD4HTR5ABRD2MAPK1PIK3CD
SCHEMBL24493463 0.84 BRD4 (0.46) BRD4HTR5ABRD2NOS3NOS1
SCHEMBL23103442 0.84 BRD4 (0.46) BRD4HTR5ABRD2NOS3NOS1
SCHEMBL21827039 0.83 BRD4 (0.41) BRD4HTR5ABRD2
SCHEMBL10491060 0.82 BRD4 (0.45) BRD4BRD2PIK3CDACHE
SCHEMBL21568500 0.82 NCF1 (0.48) BRD4HTR5ABRD2MAPK1PIK3CD
SCHEMBL4373597 0.82 BRD4 (0.66) BRD4HTR5ABRD2MAPK1PIK3CD
SCHEMBL13598543 0.81 CYP1A2 (0.45) BRD4HTR5AHTR1AACHE
SCHEMBL19296767 0.80 BRD4 (0.44) BRD4HTR5ABRD2MAPK1PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9745305-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2017-08-29 US claimed
EP-2970305-B1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2017-02-22 EP claimed
EP-2970305-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2016-01-20 EP claimed
US-20160009718-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2016-01-14 US claimed
WO-2014151142-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2014-09-25 WO claimed
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 US disclosed
WO-2022188819-A1 SOS1 PROTEOLYSIS MODULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 苏州泽璟生物制药股份有限公司 2022-09-15 WO disclosed
US-11174245-B2 Benzimidazole compounds and derivatives as EGFR inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-11-16 US disclosed
US-20210087189-A1 SUBSTITUTED ISINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,3-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-03-25 US disclosed
US-20210078996-A1 HPK1 ANTAGONISTS AND USES THEREOF CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-03-18 US disclosed
US-20200377476-A1 NEW BENZIMIDAZOLE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-12-03 US disclosed
WO-2020119819-A1 BENZAMIDES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2020-06-18 WO disclosed
US-9682955-B2 Quinazoline derivatives useful as CB-1 inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2017-06-20 US disclosed
EP-2970305-B1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2017-02-22 EP disclosed
US-20160068512-A1 Quinazoline Derivatives Useful as CB-1 Inverse Agonists JANSSEN PHARMACEUTICA NV (BE) 2016-03-10 US disclosed
EP-2970305-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2016-01-20 EP disclosed
US-20160009718-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2016-01-14 US disclosed
WO-2014151142-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2014-09-25 WO disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US disclosed
US-20100273805-A1 SULPHIDE BRIDGED DERIVATIVES AS MODULATORS OF MGLUR5 733 ASTRAZENECA AB (SE) 2010-10-28 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 (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-20200377476-A1 NEW BENZIMIDAZOLE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS EGFR, ERBB2, ERBB3 BRD4 276/4885HTR5A 917/4885BRD2 534/4885
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 BRD4 2720/4885HTR5A 2269/4885BRD2 3058/4885
US-20160009718-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 BRD4 415/4885HTR5A 4224/4885BRD2 250/4885
US-11174245-B2 Benzimidazole compounds and derivatives as EGFR inhibitors EGFR, ERBB2, ERBB3 BRD4 300/4885HTR5A 725/4885BRD2 505/4885
US-20100273805-A1 SULPHIDE BRIDGED DERIVATIVES AS MODULATORS OF MGLUR5 733 GRM5, GRM3, GRIK5 BRD4 716/4885HTR5A 60/4885BRD2 1394/4885
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 BRD4 341/4885HTR5A 3256/4885BRD2 868/4885
US-20210078996-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 BRD4 2720/4885HTR5A 2269/4885BRD2 3058/4885
US-20210087189-A1 SUBSTITUTED ISINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,3-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS HIPK1, PDXK, SIK1 BRD4 1706/4885HTR5A 458/4885BRD2 1048/4885
US-20160068512-A1 Quinazoline Derivatives Useful as CB-1 Inverse Agonists CNR1, CNR2, GPR119 BRD4 316/4885HTR5A 111/4885BRD2 749/4885

“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.