SCHEMBL3530658

SCHEMBL3530658

C=CCCC(=O)NC1CCc2nc(N)ncc2C1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.39
MTNR1B P49286 4/20 0.39
DRD3 P35462 4/20 0.37
DRD2 P14416 3/20 0.37
KDR P35968 3/20 0.36
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
NPC1 O15118 1/20 0.34
PDGFRB P09619 2/20 0.33
SMYD3 Q9H7B4 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL3530656 0.87 MTNR1A (0.37) MTNR1AMTNR1BNPC1SMYD3
SCHEMBL3534053 0.80 HPGD (0.43) MTNR1AMTNR1BDRD3DRD2KDR
SCHEMBL3009300 0.80 DRD3 (0.42) MTNR1AMTNR1BDRD3DRD2KDR
SCHEMBL6092902 0.78 MTNR1A (0.50) MTNR1AMTNR1BDRD3DRD2KDR
SCHEMBL3532116 0.78 EPHX1 (0.53) MTNR1AMTNR1BDRD3DRD2F2
SCHEMBL15643175 0.77 MTNR1A (0.34) MTNR1AMTNR1BNPC1
SCHEMBL3527966 0.74 SIGMAR1 (0.47) MTNR1AMTNR1BDRD3DRD2
SCHEMBL3530610 0.74 EPHX2 (0.52) MTNR1AMTNR1B
SCHEMBL3535957 0.74 MAPK8 (0.40) MTNR1AMTNR1BDRD3DRD2KDR
SCHEMBL13213520 0.74 EPHX2 (0.44) DRD3DRD2KDRPDGFRB

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 4 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-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 MTNR1A 1228/4885MTNR1B 802/4885DRD3 1557/4885
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 MTNR1A 884/4885MTNR1B 633/4885DRD3 1584/4885

“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.