SCHEMBL3533394

SCHEMBL3533394

CC(C)(C)OC(=O)N1CCc2nc(NC(=O)c3cc(Cl)cc(Cl)c3)ncc2C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
PDGFRB P09619 5/20 0.47
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
ESR2 Q92731 1/20 0.44
NR1H2 P55055 1/20 0.43
GRAMD1A Q96CP6 1/20 0.43
ENPP2 Q13822 1/20 0.43
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
MAP3K5 Q99683 2/20 0.42
KDR P35968 3/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 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
SCHEMBL3530807 0.92 MAPT (0.58) MAPTPDGFRBDDB1CRBNESR2
SCHEMBL31590860 0.86 MAPT (0.71) MAPTPDGFRBDDB1CRBNESR2
SCHEMBL5547979 0.85 MAPT (0.42) MAPTPDGFRBDDB1CRBNENPP2
SCHEMBL20764976 0.84 MAPT (0.67) MAPTPDGFRBDDB1CRBNESR2
SCHEMBL3530251 0.83 MAPT (0.59) MAPTPDGFRBDDB1CRBNESR2
SCHEMBL17635118 0.81 MAPT (0.69) MAPTPDGFRBDDB1CRBNESR2
SCHEMBL30637861 0.81 MAPT (0.69) MAPTPDGFRBDDB1CRBNESR2
SCHEMBL31590275 0.80 MAPT (0.80) MAPTPDGFRBDDB1CRBNENPP2
SCHEMBL17183931 0.79 MAPT (0.65) MAPTPDGFRBDDB1CRBNESR2
SCHEMBL29757600 0.79 MAPT (0.65) MAPTPDGFRBDDB1CRBNESR2

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 1817/4885PDGFRB 999/4885DDB1 4156/4885
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 1702/4885PDGFRB 670/4885DDB1 3893/4885

“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.