SCHEMBL134599

SCHEMBL134599

C=C1CCc2ccccc2N1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.57
MAPK13 O15264 1/20 0.57
MAPK12 P53778 1/20 0.57
MAPK11 Q15759 1/20 0.57
MAPK14 Q16539 1/20 0.57
MAPT P10636 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 2/20 0.50
GAA P10253 1/20 0.50
ALDH1A1 P00352 1/20 0.47
AHR P35869 1/20 0.43
PDK2 Q15119 1/20 0.43
HSP90AA1 P07900 1/20 0.43
THRB P10828 1/20 0.43
HK1 P19367 1/20 0.43
MAPK1 P28482 1/20 0.43
RECQL P46063 1/20 0.43
RAB9A P51151 1/20 0.43
GALK1 P51570 1/20 0.43

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
SCHEMBL407439 0.83 NPC1 (0.70) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL29749715 0.79 MAPT (0.56) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL1537890 0.79 MAPT (0.56) NPC1MAPK13MAPK12MAPK11MAPK14
Ammonia Solution, Strong SCHEMBL11153424 0.77 MAPT (0.54) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL6469101 0.74 NPC1 (0.72) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL4861947 0.73 MAPT (0.72) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL88725 0.73 MEN1 (0.65) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL10032 0.73 NPC1 (1.00) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL9688137 0.73 NPC1 (0.57) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL4227502 0.73 NPC1 (1.00) NPC1MAPK13MAPK12MAPK11MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4238960-A1 AMIDE DERIVATIVE HAVING ANTIVIRAL ACTIVITY Shionogi & Co., Ltd (JP) 2023-09-06 EP disclosed
US-20230183207-A1 COMPOUNDS FOR THE TREATMENT OF SARS PURDUE RESEARCH FOUNDATION 2023-06-15 US disclosed
EP-4067355-A1 SPIRO-CONDENSED PYRROLIDINE DERIVATIVES AS DEUBIQUITYLATING ENZYME (DUB) INHIBITORS Mission Therapeutics Limited (GB) 2022-10-05 EP disclosed
EP-3116858-B1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC (JP) 2020-11-11 EP disclosed
EP-2847193-B1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2019-08-07 EP disclosed
US-20180086752-A1 COMPOSITIONS AND METHODS OF TARGETING MUTANT K-RAS NANTBIO, INC. 2018-03-29 US disclosed
US-9708332-B2 Respiratory syncytial virus inhibitors MEDIVIR AB (SE) 2017-07-18 US disclosed
US-20170174652-A1 INHIBITORS OF THE FIBROBLAST GROWTH FACTOR RECEPTOR BLUEPRINT MEDICINES CORPORATION 2017-06-22 US disclosed
US-20170057953-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT BLUEPRINT MEDICINES CORPORATION 2017-03-02 US disclosed
US-20160272646-A1 RESPIRATORY SYNCYTIAL VIRUS INHIBITORS MEDIVIR AB (SE) 2016-09-22 US disclosed
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
US-20110021573-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-01-27 US disclosed
WO-2011006903-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2011-01-20 WO disclosed
US-7638546-B1 Imidazolyl derivatives IPSEN PHARMA S.A.S. (FR) 2009-12-29 US disclosed
US-7566734-B2 Imidazolyl derivatives SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, S.A.S. (FR) 2009-07-28 US disclosed
US-7476675-B2 Quinolinone derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2009-01-13 US disclosed
US-20070299073-A1 Imidazolyl derivatives IPSEN PHARMA S.A.S. (FR) 2007-12-27 US disclosed
US-7238695-B2 Imidazolyl derivatives SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, SAS (FR) 2007-07-03 US disclosed
US-20070032653-A1 N-{1-(4-(3-bromophenyl)-1H-imidazol-2-yl)-5-methylhexyl}-N-cyclohexylamine; agonists or antagonists of somatostatin receptors; acromegaly, restenosis, Crohn's disease, systemic sclerosis, external and internal pancreatic pseudocysts and ascites, nesidoblastosis, hyperinsulinism, gastrinoma, etc. SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, S.A.S. (FR) 2007-02-08 US disclosed
US-3944556-A PHOTOCONDUCTOR, FLUORESCENT, PHOTOGRAPHY FUJI PHOTO FILM CO., LTD. (JA) 1976-03-16 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-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 NPC1 1785/4885MAPK13 3829/4885MAPK12 3061/4885
US-20170057953-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT KIT, PRKACA, CKMT1A; CKMT1B NPC1 838/4885MAPK13 2114/4885MAPK12 3186/4885
US-20110021573-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 NPC1 3238/4885MAPK13 3370/4885MAPK12 2664/4885
US-20230183207-A1 COMPOUNDS FOR THE TREATMENT OF SARS ACE2, ACE, SARS1 NPC1 180/4885MAPK13 3317/4885MAPK12 2696/4885
US-20170174652-A1 INHIBITORS OF THE FIBROBLAST GROWTH FACTOR RECEPTOR FGFR4, FGFR1, FGFR2 NPC1 3062/4885MAPK13 1935/4885MAPK12 1844/4885
US-20180086752-A1 COMPOSITIONS AND METHODS OF TARGETING MUTANT K-RAS KRAS, NRAS, HRAS NPC1 2166/4885MAPK13 658/4885MAPK12 993/4885
US-20070299073-A1 Imidazolyl derivatives SSTR5, SSTR3, SSTR2 NPC1 2380/4885MAPK13 1298/4885MAPK12 2437/4885
US-20160272646-A1 RESPIRATORY SYNCYTIAL VIRUS INHIBITORS HIF1AN, RNASEH1, RTF1 NPC1 945/4885MAPK13 3051/4885MAPK12 3556/4885
US-20070032653-A1 N-{1-(4-(3-bromophenyl)-1H-imidazol-2-yl)-5-methylhexyl}-N-cyclohexylamine; agonists or antagonists of somatostatin receptors; acromegaly, restenosis, Crohn's disease, systemic sclerosis, external and internal pancreatic pseudocysts and ascites, nesidoblastosis, hyperinsulinism, gastrinoma, etc. GHSR, IGF1R, GIPR NPC1 434/4885MAPK13 591/4885MAPK12 1084/4885

“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.