SCHEMBL384148

SCHEMBL384148

O=[C]C1CCc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.46
PDPK1 O15530 1/20 0.46
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CYP11B2 P19099 1/20 0.43
MAOA P21397 3/20 0.42
MAOB P27338 3/20 0.42
HTR6 P50406 2/20 0.42
BCHE P06276 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
ACHE P22303 1/20 0.42
ADRA1A P35348 1/20 0.42
CHRNA7 P36544 1/20 0.42
ACP3 P15309 1/20 0.41
PIN1 Q13526 1/20 0.41
SRD5A1 P18405 1/20 0.40

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
SCHEMBL9165647 1.00 IDO1 (0.46) IDO1PDPK1CA1CA2CYP11B2
SCHEMBL9167813 0.88 IDO1 (0.49) IDO1CHRNA7
SCHEMBL1756937 0.88 IDO1 (0.49) IDO1CHRNA7
SCHEMBL9159886 0.88 IDO1 (0.49) IDO1CHRNA7
SCHEMBL1697825 0.79 IDO1 (0.46) IDO1PDPK1CA1CA2CYP11B2
SCHEMBL8657446 0.79 MAOA (0.50) IDO1PDPK1CA1CA2CYP11B2
SCHEMBL21630391 0.79 IDO1 (0.46) IDO1PDPK1CA1CA2CYP11B2
SCHEMBL9160631 0.78 CHRNB2 (0.44)
SCHEMBL4656200 0.78 CHRNB2 (0.44)
Hydrochloric Acid SCHEMBL20843623 0.78 IDO1 (0.47) IDO1PDPK1CYP11B2MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2976339-B1 GEMINALLY SUBSTITUTED CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-06-27 EP claimed
US-9957264-B2 Geminally substituted cyanoethylpyrazolo pyridones as Janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2018-05-01 US claimed
US-20160272632-A1 GEMINALLY SUBSTITUTED CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-09-22 US claimed
EP-2976339-A1 GEMINALLY SUBSTITUTED CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-01-27 EP claimed
WO-2014146491-A1 GEMINALLY SUBSTITUTED CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-09-25 WO claimed
EP-1252890-B1 REMEDIES OR PREVENTIVES FOR DIGESTIVE DISEASES CONTAINING DIAMINOTRIFLUOROMETHYLPYRIDINE DERIVATIVES ISHIHARA SANGYO KAISHA (JP) 2008-07-02 EP claimed
US-20070031415-A1 Regulation of interaction between rapl and rap1 ISHIHARA SANGYO KAISHA, LTD. (JP) 2007-02-08 US claimed
EP-1252889-B1 REMEDIES OR PREVENTIVES FOR PULMONARY INSUFFICIENCY CONTAINING DIAMINOTRIFLUOROMETHYLPYRIDINE DERIVATIVES ISHIHARA SANGYO KAISHA (JP) 2006-08-09 EP claimed
EP-1252891-B1 Use of DIAMINOTRIFLUOROMETHYLPYRIDINE DERIVATIVES FOR the prevention and treatment of LIVER DISEASES ISHIHARA SANGYO KAISHA (JP) 2005-10-05 EP claimed
EP-1557670-A1 REGULATION OF INTERACTION BETWEEN RAPL AND Rap1 ISHIHARA SANGYO KAISHA, LTD. (JP) 2005-07-27 EP claimed
EP-1252889-A1 REMEDIES OR PREVENTIVES FOR PULMONARY INSUFFICIENCY CONTAINING DIAMINOTRIFLUOROMETHYLPYRIDINE DERIVATIVES ISHIHARA SANGYO KAISHA, LTD. (JP) 2002-10-30 EP claimed
EP-1252890-A1 REMEDIES OR PREVENTIVES FOR DIGESTIVE DISEASES CONTAINING DIAMINOTRIFLUOROMETHYLPYRIDINE DERIVATIVES ISHIHARA SANGYO KAISHA, LTD. (JP) 2002-10-30 EP claimed
US-6380197-B1 FOR TREATING AND PREVENTING A PLETHORA OF DISEASES INCLUDING DIABETES AVENTIS PHARMA S. A. (FR) 2002-04-30 US claimed
EP-1001943-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2000-05-24 EP claimed
WO-1999003843-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1999-01-28 WO claimed
EP-0563731-B1 Medicaments containing polyhydroxymethylene-derivatives, process for their manufacture and use thereof HOECHST AG (DE) 1995-11-15 EP claimed
US-5401498-A Anticholesterol agents HOECHST AKTIENGESELLSCHAFT (DE) 1995-03-28 US claimed
EP-0469887-B1 Acetamide derivatives ZENECA LTD (GB) 1994-12-14 EP claimed
US-4727060-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1988-02-23 US claimed
EP-0184550-A2 5-Amino-4-hydroxy valeryl amide derivatives CIBA-GEIGY AG (CH) 1986-06-11 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20070031415-A1 Regulation of interaction between rapl and rap1 RAP1A, RAPGEF3, RAPGEF4 IDO1 3526/4885PDPK1 1512/4885CA1 4704/4885
US-20160272632-A1 GEMINALLY SUBSTITUTED CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS JAK1, JAK2, JAK3 IDO1 405/4885PDPK1 244/4885CA1 3899/4885

“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.