SCHEMBL3533931

SCHEMBL3533931

CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)N(NC(=O)c1ccc(F)cc1)C1CCc2ncncc2C1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
PABPC1 P11940 1/20 0.42
ROCK2 O75116 2/20 0.41
SCN9A Q15858 7/20 0.40
CTSS P25774 3/20 0.40
CTSK P43235 2/20 0.40
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
KMT2A Q03164 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
MAPK1 P28482 1/20 0.37
ACE P12821 2/20 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
SCHEMBL3533927 0.72 SCN9A (0.50) PABPC1SCN9ACTSSCTSKCTSL
SCHEMBL1764798 0.65 CTSS (0.64) CTSSCTSKCTSLCTSBACE
SCHEMBL6162474 0.65 CTSS (0.64) CTSSCTSKCTSLCTSBACE
SCHEMBL2684894 0.65 CTSS (0.67) CTSSCTSKCTSLCTSBACE
SCHEMBL5873422 0.65 CTSS (0.67) CTSSCTSKCTSLCTSBACE
SCHEMBL844027 0.65 CTSS (0.67) CTSSCTSKCTSLCTSBACE
SCHEMBL23941665 0.64 CTSS (0.55) CTSSCTSKCTSLCTSBACE
SCHEMBL29984303 0.64 CTSS (0.55) CTSSCTSKCTSLCTSBACE
SCHEMBL29984174 0.64 CTSS (0.55) CTSSCTSKCTSLCTSBACE
SCHEMBL31075430 0.64 CTSS (0.65) PABPC1SCN9ACTSSCTSKCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1742925-B1 SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS GRUENENTHAL GMBH (DE) 2014-04-23 EP claimed
US-20070249631-A1 Substituted 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-yl compounds and 5,6,7,8-tetrahydroquinazoline-2-yl compounds GRUENENTHAL GMBH (DE) 2007-10-25 US claimed
US-7662828-B2 Substituted 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-yl compounds and 5,6,7,8-tetrahydroquinazoline-2-yl compounds GRUENENTHAL GMBH (DE) 2010-02-16 US disclosed
US-20090176811-A1 Substituted 5,6,7,8-Tetrahydro-pyrido[4,3-d]pyrimidine-2-yl Compounds and 5,6,7,8-Tetrahydro-quinazoline-2-yl Compounds GRUENENTHAL GMBH (DE) 2009-07-09 US disclosed
US-20070249631-A1 Substituted 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-yl compounds and 5,6,7,8-tetrahydroquinazoline-2-yl compounds GRUENENTHAL GMBH (DE) 2007-10-25 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 (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-20070249631-A1 Substituted 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-yl compounds and 5,6,7,8-tetrahydroquinazoline-2-yl compounds P2RX7, CYP2C8, P2RX5 DRD2 1197/4885DRD3 1557/4885PABPC1 670/4885
US-20090176811-A1 Substituted 5,6,7,8-Tetrahydro-pyrido[4,3-d]pyrimidine-2-yl Compounds and 5,6,7,8-Tetrahydro-quinazoline-2-yl Compounds P2RX7, P2RX5, DPYD DRD2 1269/4885DRD3 1584/4885PABPC1 735/4885

“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.