SCHEMBL3532134

SCHEMBL3532134

CCOc1ccccc1N(C(=O)C(F)(F)F)c1ncc2c(n1)CCNC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.37
TP53 P04637 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
ATR Q13535 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
HTR2B P41595 3/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR3A P46098 1/20 0.31
HTR6 P50406 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
USP2 O75604 1/20 0.31

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
SCHEMBL3534185 0.79 HTR2C (0.38) HTR2CSMN1; SMN2POLBATRHTR2B
SCHEMBL3535430 0.74 HTR2C (0.40) HTR2CSMN1; SMN2POLBHTR2B
SCHEMBL3527599 0.73 POLB (0.34) HTR2CSMN1; SMN2POLBATRHTR2B
Trifluoroacetic Acid SCHEMBL3532133 0.73 MEN1 (0.42) TP53POLBLMNAALDH1A1MAPT
Trifluoroacetic Acid SCHEMBL19664864 0.66 HTR2C (0.62) HTR2CSMN1; SMN2POLBHTR2BCHRM4
Trifluoroacetic Acid SCHEMBL17893733 0.65 HTR2C (0.45) HTR2CSMN1; SMN2POLB
SCHEMBL785776 0.65 POLB (0.48) HTR2CSMN1; SMN2POLBHTR2BCHRM4
Trifluoroacetic Acid SCHEMBL29608658 0.63 ENPP2 (0.53) HTR2CMAPT
Trifluoroacetic Acid SCHEMBL18550341 0.63 HTR2C (0.41) HTR2CSMN1; SMN2POLBATRHTR2B
Trifluoroacetic Acid SCHEMBL2110708 0.62 SSTR4 (0.37) KDM4ELMNAALDH1A1MAPTHTR2B

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 HTR2C 29/4885TP53 3586/4885SMN1; SMN2 498/4885
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 HTR2C 33/4885TP53 3812/4885SMN1; SMN2 666/4885

“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.