SCHEMBL4402941

SCHEMBL4402941

CCN1CCN2CCCCC2C1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.50
CHRM5 P08912 2/20 0.46
CHRM1 P11229 2/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM3 P20309 1/20 0.46
HTR7 P34969 2/20 0.41
HTR6 P50406 1/20 0.38
HSD11B1 P28845 1/20 0.37

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
SCHEMBL17722640 0.98 SIGMAR1 (0.53) SIGMAR1CHRM5CHRM1CHRM2CHRM4
SCHEMBL17722606 0.98 SIGMAR1 (0.53) SIGMAR1CHRM5CHRM1CHRM2CHRM4
SCHEMBL17722612 0.98 SIGMAR1 (0.53) SIGMAR1CHRM5CHRM1CHRM2CHRM4
SCHEMBL12605421 0.94 SIGMAR1 (0.47) SIGMAR1CHRM5CHRM1CHRM2CHRM4
SCHEMBL10080968 0.94 SIGMAR1 (0.47) SIGMAR1CHRM5CHRM1CHRM2CHRM4
SCHEMBL12605420 0.94 SIGMAR1 (0.47) SIGMAR1CHRM5CHRM1CHRM2CHRM4
SCHEMBL12464291 0.88 KMT2A (0.40) SIGMAR1
SCHEMBL17946881 0.88 KMT2A (0.40) SIGMAR1
SCHEMBL24688441 0.86 SIGMAR1 (0.41) SIGMAR1CHRM5CHRM1CHRM2CHRM4
SCHEMBL11919351 0.86 SIGMAR1 (0.41) SIGMAR1CHRM5CHRM1CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2024-07-11 US disclosed
EP-3966207-B1 PHENYLAMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS LLC (US) 2023-11-01 EP disclosed
US-20210009613-A1 ARYLPHOSPHINE OXIDES FOR INHIBITING KINASE ACTIVITY SHENZHEN TARGETRX, INC. (CN) 2021-01-14 US disclosed
US-10633350-B2 Diphenyl derivatives and uses thereof NOVARTIS AG (CH) 2020-04-28 US disclosed
US-20190077773-A1 DIPHENYL DERIVATIVES AND USES THEREOF NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2019-03-14 US disclosed
EP-3055293-B1 DIARYLALKYLAMINE REV-ERB ANTAGONISTS AND THEIR USE AS MEDICAMENTS FOND ST ITALIANO TECNOLOGIA (IT) 2017-12-06 EP disclosed
WO-2017189831-A1 NOVEL BETA LACTAMS AS MODULATORS OF GLUTAMATE UPTAKE AND METHODS FOR USE THEREOF TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2017-11-02 WO disclosed
US-20170136009-A1 DIARYLALKYLAMINE REV-ERB ANTAGONISTS AND THEIR USE AS MEDICAMENTS FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2017-05-18 US disclosed
EP-2350083-B1 PYRIMIDO[5,4-D]PYRIMIDINES AS CELL PROLIFERATION INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2017-05-17 EP disclosed
US-9611223-B2 3-aryl-5-substituted-isoquinolin-1-one compounds and their therapeutic use INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2017-04-04 US disclosed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US disclosed
WO-2009117283-A2 QUINOLIZIDINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK & CO., INC. (US) 2009-09-24 WO disclosed
US-7576092-B2 Benzofuro- and benzothienopyrimidine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2009-08-18 US disclosed
US-20090203672-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-08-13 US disclosed
US-20090186899-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-07-23 US disclosed
US-20090105264-A1 Substituted Nicotinamide Compounds MERCK SHARP & DOHME CORP. 2009-04-23 US disclosed
US-20090099158-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-16 US disclosed
US-20080194577-A1 Antiallergens; asthma; autoimmune disease; pruritius; antiarthritic agents JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-14 US disclosed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 US disclosed
US-20080015200-A1 Benzofuro- and benzothienopyrimidine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA, N.V. (BE) 2008-01-17 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 (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-20190077773-A1 DIPHENYL DERIVATIVES AND USES THEREOF MYOF, NGF, MUSK SIGMAR1 4451/4885CHRM5 4681/4885CHRM1 4813/4885
US-20090099158-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR HRH3, HRH4, HRH1 SIGMAR1 393/4885CHRM5 416/4885CHRM1 280/4885
US-20210009613-A1 ARYLPHOSPHINE OXIDES FOR INHIBITING KINASE ACTIVITY ALK, SKP1, ROS1 SIGMAR1 502/4885CHRM5 1959/4885CHRM1 1030/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 SIGMAR1 143/4885CHRM5 4237/4885CHRM1 4618/4885
US-20090186899-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 SIGMAR1 103/4885CHRM5 476/4885CHRM1 222/4885
US-20170136009-A1 DIARYLALKYLAMINE REV-ERB ANTAGONISTS AND THEIR USE AS MEDICAMENTS NR1D1, NR1I3, BCOR SIGMAR1 356/4885CHRM5 4637/4885CHRM1 4537/4885
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TP53, HRAS, KRAS SIGMAR1 3391/4885CHRM5 4876/4885CHRM1 4880/4885
US-20080015200-A1 Benzofuro- and benzothienopyrimidine modulators of the histamine H4 receptor HRH4, HRH1, HRH2 SIGMAR1 1609/4885CHRM5 412/4885CHRM1 446/4885
US-20090105264-A1 Substituted Nicotinamide Compounds SIRT1, NQO1, TXNRD2 SIGMAR1 4654/4885CHRM5 1658/4885CHRM1 2037/4885
US-20090253669-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 SIGMAR1 1349/4885CHRM5 4335/4885CHRM1 4649/4885
US-20080194577-A1 Antiallergens; asthma; autoimmune disease; pruritius; antiarthritic agents HRH4, HRH2, HRH3 SIGMAR1 1629/4885CHRM5 163/4885CHRM1 209/4885
US-10633350-B2 Diphenyl derivatives and uses thereof MYOF, NGF, MUSK SIGMAR1 4451/4885CHRM5 4681/4885CHRM1 4813/4885
US-20090203672-A1 Substituted Sulfonamide Compounds RPS4X, RPS4Y1, CACNA1A SIGMAR1 205/4885CHRM5 1605/4885CHRM1 1596/4885

“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.