SCHEMBL3534053

SCHEMBL3534053

Nc1ncc2c(n1)CCC(NC(=O)CC1CCCC1)C2

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.43
EPHX1 P07099 1/20 0.43
KMT2A Q03164 1/20 0.43
KDR P35968 2/20 0.41
PDGFRB P09619 1/20 0.41
DRD2 P14416 3/20 0.38
DRD3 P35462 3/20 0.38
GAA P10253 2/20 0.37
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
NAMPT P43490 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
EPHX2 P34913 1/20 0.36
CYP2D6 P10635 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
SCHEMBL3534050 0.86 HPGD (0.42) HPGDEPHX1KMT2AGAANPC1
SCHEMBL3009300 0.81 DRD3 (0.42) KDRPDGFRBDRD2DRD3F2
SCHEMBL6092902 0.80 MTNR1A (0.50) KDRPDGFRBDRD2DRD3MTNR1A
SCHEMBL3530658 0.80 MTNR1A (0.39) KDRPDGFRBDRD2DRD3F2
SCHEMBL3530610 0.76 EPHX2 (0.52) MTNR1AMTNR1BEPHX2
SCHEMBL3527966 0.76 SIGMAR1 (0.47) HPGDKMT2ADRD2DRD3SMN1; SMN2
SCHEMBL3532116 0.76 EPHX1 (0.53) EPHX1DRD2DRD3F2F10
SCHEMBL3535957 0.76 MAPK8 (0.40) HPGDKDRPDGFRBDRD2DRD3
SCHEMBL13213520 0.75 EPHX2 (0.44) KDRPDGFRBDRD2DRD3EPHX2
SCHEMBL3530723 0.74 KDR (0.47) KDRPDGFRBDRD2DRD3

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 HPGD 210/4885EPHX1 1390/4885KMT2A 3974/4885
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 HPGD 183/4885EPHX1 1751/4885KMT2A 4160/4885

“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.