SCHEMBL3530807

SCHEMBL3530807

CC(C)(C)OC(=O)N1CCc2nc(NC(=O)c3cccc(Cl)c3)ncc2C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
CYP1A2 P05177 1/20 0.52
POLB P06746 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.52
CYP2C19 P33261 1/20 0.52
HTT P42858 1/20 0.52
PDGFRB P09619 8/20 0.46
KDR P35968 5/20 0.46
MAP3K5 Q99683 1/20 0.45
ENPP2 Q13822 1/20 0.45
ESR2 Q92731 1/20 0.44
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44
NR1H2 P55055 1/20 0.44
JAK2 O60674 1/20 0.44

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
SCHEMBL3533394 0.92 MAPT (0.58) MAPTKDM4ELMNACYP1A2POLB
SCHEMBL5544790 0.87 MAPT (0.49) MAPTKDM4ELMNACYP1A2POLB
SCHEMBL3530251 0.83 MAPT (0.59) MAPTPDGFRBKDRMAP3K5ENPP2
SCHEMBL3528264 0.82 CYP1A2 (0.52) MAPTKDM4ELMNACYP1A2POLB
SCHEMBL3528933 0.81 KDM4E (0.49) MAPTKDM4ELMNACYP1A2POLB
SCHEMBL20764976 0.81 MAPT (0.67) MAPTPDGFRBKDRENPP2ESR2
SCHEMBL3528741 0.81 CYP3A4 (0.53) MAPTKDM4ELMNACYP1A2POLB
SCHEMBL3531464 0.81 PDGFRB (0.61) MAPTKDM4ELMNACYP1A2POLB
SCHEMBL31590275 0.80 MAPT (0.80) MAPTPDGFRBKDRENPP2DDB1
SCHEMBL31590860 0.80 MAPT (0.71) MAPTPDGFRBKDRESR2DDB1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPT 1817/4885KDM4E 2024/4885LMNA 3096/4885
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 MAPT 1702/4885KDM4E 2064/4885LMNA 2767/4885

“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.