SCHEMBL9908392

SCHEMBL9908392

CCc1ccc(N2CCCC2)nc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.53
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
AOC3 Q16853 2/20 0.50
MAPT P10636 2/20 0.47
UBE2T Q9NPD8 1/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
ALOX12 P18054 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
CNR2 P34972 5/20 0.44
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
CACNA1H O95180 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL8429477 0.98 CYP1A2 (0.54) HRH3CYP1A2CYP2D6AOC3MAPT
SCHEMBL12217555 0.96 HRH3 (0.49) HRH3CYP1A2CYP2D6AOC3MAPT
SCHEMBL14642619 0.86 CYP11B1 (0.55) CYP1A2AOC3MAPTALDH1A1LMNA
SCHEMBL12601594 0.86 AOC3 (0.55) HRH3CYP1A2CYP2D6AOC3MAPT
SCHEMBL2759552 0.86 HRH4 (0.49) HRH3CYP1A2CYP2D6ALDH1A1KDM4E
SCHEMBL12127778 0.85 L3MBTL3 (0.47) HRH3CYP1A2CYP2D6
SCHEMBL10201937 0.84 PLD1 (0.49) HRH3CYP1A2ALDH1A1KDM4E
SCHEMBL12651161 0.84 POLB (0.49) HRH3CYP1A2CYP2D6AOC3MAPT
SCHEMBL149381 0.84 CYP11B1 (0.60) CYP1A2AOC3MAPTALDH1A1LMNA
SCHEMBL12942919 0.83 L3MBTL3 (0.46) HRH3CYP1A2CYP2D6AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023096928-A1 HETERO-ATOM CONTAINING COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-06-01 WO disclosed
US-20230043159-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF DISC MEDICINE, INC. 2023-02-09 US disclosed
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-06-25 US disclosed
US-20180155330-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2018-06-07 US disclosed
US-9873687-B2 N-(heteroaryl)-sulfonamide derivatives useful as S100-inhibitors ACTIVE BIOTECH AB (SE) 2018-01-23 US disclosed
US-20160272577-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2016-09-22 US disclosed
US-9328071-B2 Acylamino-substituted fused cyclopentanecarboxylic acid derivatives and their use as pharmaceuticals SANOFI (FR) 2016-05-03 US disclosed
US-20140309264-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2014-10-16 US disclosed
US-8802720-B2 Acylamino-substituted fused cyclopentanecarboxylic acid derivatives and their use as pharmaceuticals SANOFI (FR) 2014-08-12 US disclosed
US-20130225605-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2013-08-29 US disclosed
US-20120196845-A1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2012-08-02 US disclosed
US-8198273-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-06-12 US disclosed
US-20100286142-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor PLEXXIKON, INC. 2010-11-11 US disclosed
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-29 US disclosed
US-20100160326-A1 PEST CONTROL AGENT CONTAINING NOVEL PYRIDYL-METHANAMINE DERIVATIVE OR SALT THEREOF ISHIHARA SANGYO KAISHA, LTD. (JP) 2010-06-24 US disclosed
US-20100160326-A1 PEST CONTROL AGENT CONTAINING NOVEL PYRIDYL-METHANAMINE DERIVATIVE OR SALT THEREOF ISHIHARA SANGYO KAISHA, LTD. (JP) 2010-06-24 US disclosed
US-7579348-B2 Derivatives of 8-substituted xanthines PGXHEALTH, LLC (US) 2009-08-25 US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
US-20070249598-A1 Derivatives of 8-substituted xanthines ADENOSINE THERAPEUTICS, LLC 2007-10-25 US disclosed
US-7271270-B2 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION (US) 2007-09-18 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-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 HRH3 4/4885CYP1A2 980/4885CYP2D6 817/4885
US-20100160326-A1 PEST CONTROL AGENT CONTAINING NOVEL PYRIDYL-METHANAMINE DERIVATIVE OR SALT THEREOF HCN1, HCN3, HCN2 HRH3 7/4885CYP1A2 750/4885CYP2D6 2294/4885
US-20160272577-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS EDF1, LPAR2, LIPG HRH3 973/4885CYP1A2 1341/4885CYP2D6 2865/4885
US-20130225605-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS EDF1, LPAR2, LIPG HRH3 973/4885CYP1A2 1341/4885CYP2D6 2865/4885
US-20180155330-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS S100A9, S100B, S100A10 HRH3 1201/4885CYP1A2 4671/4885CYP2D6 4581/4885
US-20070249598-A1 Derivatives of 8-substituted xanthines ADORA2B, ADORA2A, ADORA3 HRH3 354/4885CYP1A2 262/4885CYP2D6 399/4885
US-20120196845-A1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, CHRNA5 HRH3 263/4885CYP1A2 356/4885CYP2D6 598/4885
US-20100286142-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor BRAF, ARAF, RAF1 HRH3 3203/4885CYP1A2 3391/4885CYP2D6 2083/4885
US-20230043159-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF MMP7, MATR3, SPINT2 HRH3 3172/4885CYP1A2 1458/4885CYP2D6 1642/4885
US-20140309264-A1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS EDF1, LPAR2, LIPG HRH3 973/4885CYP1A2 1341/4885CYP2D6 2865/4885
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES ALOX5, ALOX15, ALOX15B HRH3 697/4885CYP1A2 624/4885CYP2D6 905/4885
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LCK HRH3 1043/4885CYP1A2 2995/4885CYP2D6 1760/4885

“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.