SCHEMBL4503256

SCHEMBL4503256

CCCN(CC1CC1)c1nc2c(C)cccc2cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ncc(N(C)CCC(=O)O)cn1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.36
CETP P11597 2/20 0.36
S1PR1 P21453 5/20 0.35
LTC4S Q16873 4/20 0.34
PIK3CD O00329 2/20 0.34
TACR1 P25103 3/20 0.34
CYP3A4 P08684 2/20 0.34
MCHR1 Q99705 2/20 0.33
S1PR3 Q99500 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL4506119 0.92 CETP (0.36) CRHR1CETPLTC4SPIK3CDTACR1
SCHEMBL4514061 0.86 CETP (0.39) CRHR1CETPPIK3CD
SCHEMBL14602964 0.84 CRHR1 (0.35) CRHR1CETPS1PR1LTC4SPIK3CD
SCHEMBL14472674 0.83 PIK3CD (0.34) CETPS1PR1LTC4SPIK3CDTACR1
SCHEMBL14602966 0.81 TACR1 (0.36) CRHR1CETPS1PR1LTC4SPIK3CD
SCHEMBL4496365 0.81 CETP (0.43) CRHR1CETPLTC4STACR1
SCHEMBL14602962 0.81 CETP (0.38) CETPS1PR1LTC4SPIK3CDTACR1
SCHEMBL17414304 0.81 CRHR1 (0.33) CRHR1S1PR1LTC4SPIK3CDTACR1
SCHEMBL17414298 0.80 PIK3CD (0.33) CRHR1CETPS1PR1LTC4SPIK3CD
SCHEMBL4490162 0.78 CETP (0.44) CETP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023729-A1 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-22 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 (1 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-20090023729-A1 Trisubstituted amine compound CETP, MTTP, APOB CRHR1 3834/4885CETP 1/4885S1PR1 1451/4885

“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.