SCHEMBL3528496

SCHEMBL3528496

CCCC(=O)Nc1ncc2c(n1)CCC(NC(=O)CCCCCNC(=O)OCc1ccccc1)C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
PREP P48147 2/20 0.41
HTT P42858 1/20 0.41
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ACHE P22303 1/20 0.40
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GBA1 P04062 1/20 0.38
PRCP P42785 1/20 0.38
TGM2 P21980 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38

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
SCHEMBL3533367 0.87 MEN1 (0.43) MEN1KMT2APREPHTTDRD2
SCHEMBL3527974 0.82 CTSL (0.46) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL3533821 0.79 MTNR1A (0.47) MTNR1AMTNR1BDRD2DRD3CA1
SCHEMBL3526691 0.75 HDAC3 (0.41) HTTDRD2DRD3GBA1HDAC3
SCHEMBL3530187 0.74 MTNR1A (0.44) MTNR1AMTNR1BDRD2DRD3ALDH1A1
SCHEMBL20722738 0.73 CA1 (0.54) DRD2DRD3CA1CA2ACHE
SCHEMBL3528502 0.72 DRD2 (0.49) MEN1KMT2APREPHTTDRD2
SCHEMBL20722569 0.71 CA1 (0.54) MEN1KMT2ACA1CA2ACHE
SCHEMBL3527561 0.71 CYP1A2 (0.45) MTNR1AMTNR1BHTTDRD2DRD3
SCHEMBL3532112 0.70 EPHX1 (0.51) MTNR1AMTNR1BHDAC1HDAC2

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 MEN1 3500/4885KMT2A 3974/4885MTNR1A 1228/4885
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 MEN1 3452/4885KMT2A 4160/4885MTNR1A 884/4885

“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.