Sugi Predict

Sugi Predict / Compounds / SCHEMBL3533391

SCHEMBL3533391

SCHEMBL3533391

Cc1cc(Cl)ccc1OCCCC(=O)NC1CCc2nc(N)ncc2C1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ HPGD P15428 5/20 0.47
▸ LMNA P02545 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MAPT P10636 2/20 0.46
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ PREP P48147 1/20 0.41

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
SCHEMBL3533388 0.90 ALDH1A1 (0.50) ALDH1A1KDM4ETP53ALOX15HPGD
SCHEMBL3532116 0.74 EPHX1 (0.53) LMNAMAPT
SCHEMBL3535957 0.74 MAPK8 (0.40) HPGDLMNAMAPT
SCHEMBL3530658 0.72 MTNR1A (0.39) CYP2D6NPC1
SCHEMBL3009300 0.72 DRD3 (0.42) CYP2D6
SCHEMBL3530610 0.71 EPHX2 (0.52) ALDH1A1LMNAMAPT
SCHEMBL6092902 0.71 MTNR1A (0.50) CYP2D6
SCHEMBL15353954 0.71 KDM4E (0.61) ALDH1A1KDM4ETP53ALOX15HPGD
SCHEMBL5547143 0.71 ALDH1A1 (0.49) ALDH1A1KDM4ETP53ALOX15HPGD
SCHEMBL3534053 0.70 HPGD (0.43) HPGDSMN1; SMN2CYP2D6KMT2ANPC1

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 772/4885KDM4E 2024/4885TP53 3586/4885
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 869/4885KDM4E 2064/4885TP53 3812/4885

“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.