SCHEMBL3534185

SCHEMBL3534185

CCc1ccc(N(C(=O)C(F)(F)F)c2ncc3c(n2)CCNC3)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.38
HTR2B P41595 7/20 0.34
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM1A O60341 1/20 0.32
HTR2A P28223 2/20 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
HTR3A P46098 1/20 0.31
HTR6 P50406 1/20 0.31
ATR Q13535 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
SCHEMBL3527599 0.81 POLB (0.34) HTR2CHTR2BPOLBSMN1; SMN2ATR
SCHEMBL3535430 0.79 HTR2C (0.40) HTR2CHTR2BPOLBSMN1; SMN2
SCHEMBL3532134 0.79 HTR2C (0.37) HTR2CHTR2BPOLBSMN1; SMN2HTR2A
Trifluoroacetic Acid SCHEMBL3534180 0.73 CYP1A2 (0.39) HTR2CSMN1; SMN2KDM1AATR
SCHEMBL785776 0.67 POLB (0.48) HTR2CHTR2BPOLBSMN1; SMN2HTR2A
Trifluoroacetic Acid SCHEMBL18550341 0.65 HTR2C (0.41) HTR2CHTR2BPOLBSMN1; SMN2KDM1A
SCHEMBL21657104 0.65 HTR2C (0.48) HTR2CHTR2BPOLBSMN1; SMN2HTR2A
Trifluoroacetic Acid SCHEMBL19664864 0.64 HTR2C (0.62) HTR2CHTR2BPOLBSMN1; SMN2HTR2A
Trifluoroacetic Acid SCHEMBL17893733 0.63 HTR2C (0.45) HTR2CPOLBSMN1; SMN2
SCHEMBL26056504 0.62 POLB (0.43) HTR2CHTR2BPOLBSMN1; SMN2HTR2A

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 29/4885HTR2B 239/4885POLB 3239/4885
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 33/4885HTR2B 192/4885POLB 2458/4885

“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.