SCHEMBL3575403

SCHEMBL3575403

CCOC(=O)c1n[c]no1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
CYP1A2 P05177 2/20 0.38
TSHR P16473 1/20 0.37
PDE4D Q08499 1/20 0.37
GAA P10253 3/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
CACNA1F O60840 1/20 0.36
CACNA1D Q01668 1/20 0.36
CACNA1S Q13698 1/20 0.36
CACNA1C Q13936 1/20 0.36
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
CA12 O43570 3/20 0.35
CA7 P43166 3/20 0.35
CA9 Q16790 3/20 0.35
CA14 Q9ULX7 3/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL7400591 0.68 HTT (0.52) HTTCYP1A2TSHRPDE4DCACNA1F
SCHEMBL2441045 0.67 CYP1A2 (0.38) HTTCYP1A2TSHRPDE4DGAA
SCHEMBL23384638 0.67 CYP1A2 (0.46) HTTCYP1A2TSHRGAAMAPK1
SCHEMBL9461101 0.66 HTT (0.50) HTTCYP1A2TSHRPDE4DGAA
SCHEMBL15284739 0.66 HTT (0.50) HTTCYP1A2TSHRPDE4DPOLB
SCHEMBL4123465 0.66 MPI (0.44) HTTCYP1A2TSHRPDE4DGAA
SCHEMBL4918103 0.65 CYP1A2 (0.40) CYP1A2TSHRPDE4DGAACACNA1F
SCHEMBL3151430 0.65 CA1 (0.49) HTTCYP1A2TSHRPDE4DGAA
SCHEMBL3559987 0.64 HTT (0.49) HTTCYP1A2GAAMAPK1CACNA1F
SCHEMBL13733197 0.64 HTT (0.49) HTTCYP1A2TSHRPDE4DGAA

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7812165-B2 6-substituted pyridoindolone derivatives, production and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-10-12 US claimed
EP-1742947-B1 6-SUBSTITUTED PYRIDOINDOLONE DERIVATIVES PRODUCTION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2008-08-20 EP claimed
US-20070129365-A1 6-Substituted pyridoindolone derivatives, production and therapeutic use thereof SANOFI-AVENTIS (FR) 2007-06-07 US claimed
US-7812165-B2 6-substituted pyridoindolone derivatives, production and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-10-12 US disclosed
US-20070129365-A1 6-Substituted pyridoindolone derivatives, production and therapeutic use thereof SANOFI-AVENTIS (FR) 2007-06-07 US disclosed
EP-0822931-B1 PIPERAZINONES USEFUL AS INHIBITORS OF PLATELET AGGREGATION TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-03-27 EP disclosed
US-6020334-A Piperazinones, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-02-01 US disclosed
US-5935963-A (4-GUANIDINOBENZOYLAMINO)ACETYL-3-(3-(4-GUANIDINOBENZOYLAMINO) PROPYL)-2-OXOPIPERAZINE-1-ACETIC ACID OR A SALT; CONTROLLING OR INHIBITING CELL-ADHESION; PLATELET ANTIAGGREGATION WITHOUT LONG HEMORRHAGING; ANTIICHEMIC AGENTS; ANGINA PECTORIS TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 1999-08-10 US disclosed
US-5876756-A SUSTAINED RELEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-02 US disclosed
EP-0822931-A1 PIPERAZINONES USEFUL AS INHIBITORS OF PLATELET AGGREGATION Takeda Chemical Industries, Ltd. (JP) 1998-02-11 EP disclosed
US-5714496-A TREATMENT OF HYPERCHOLESTEROLEMIA AND ATHERSCLEROSIS ZENECA LIMITED (GB) 1998-02-03 US disclosed
EP-0656897-B1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LTD (GB) 1998-01-07 EP disclosed
EP-0765660-A2 Microcapsules comprising 2-piperazinone-1-acetic acid compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-04-02 EP disclosed
WO-1996033982-A1 PIPERAZINONES USEFUL AS INHIBITORS OF PLATELET AGGREGATION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-10-31 WO disclosed
EP-0656897-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LIMITED (GB) 1995-06-14 EP disclosed
WO-1994005660-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LIMITED (GB) 1994-03-17 WO 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 (1 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-20070129365-A1 6-Substituted pyridoindolone derivatives, production and therapeutic use thereof PNPO, CYP2D6, DPYD HTT 1572/4885CYP1A2 61/4885TSHR 571/4885

“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.