Sugi Predict

Sugi Predict / Compounds / SCHEMBL3533613

SCHEMBL3533613

SCHEMBL3533613

CCC(Oc1ccccc1)C(=O)NC1CCc2nc(N)ncc2C1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ DRD2 P14416 2/20 0.42
▸ DRD3 P35462 2/20 0.42
▸ POLB P06746 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TAOK1 Q7L7X3 2/20 0.39
▸ TAOK3 Q9H2K8 2/20 0.39
▸ TSHR P16473 1/20 0.39

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
SCHEMBL3533610 0.89 ALDH1A1 (0.45) ALDH1A1MEN1KMT2APOLBHSD17B10
SCHEMBL20722738 0.75 CA1 (0.54) ALDH1A1DRD2DRD3TSHR
SCHEMBL6092902 0.74 MTNR1A (0.50) DRD2DRD3
SCHEMBL3534365 0.73 NPC1 (0.49) MEN1KMT2ADRD2DRD3POLB
SCHEMBL3530610 0.73 EPHX2 (0.52) ALDH1A1MAPT
SCHEMBL10143984 0.72 MEN1 (0.61) ALDH1A1MEN1KMT2APOLBNPSR1
SCHEMBL3529690 0.72 HDAC8 (0.48) ALDH1A1DRD2DRD3MAPT
SCHEMBL13213520 0.72 EPHX2 (0.44) DRD2DRD3
SCHEMBL3532116 0.72 EPHX1 (0.53) DRD2DRD3MAPT
SCHEMBL3530715 0.71 DRD2 (0.44) ALDH1A1DRD2DRD3POLBADORA2A

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 ALDH1A1 772/4885MEN1 3500/4885KMT2A 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 ALDH1A1 869/4885MEN1 3452/4885KMT2A 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.