SCHEMBL4493484

SCHEMBL4493484

CCCN(CC1CC1)c1ncc(Cl)cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ncc(OCCCC(=O)O)cn1.[NaH]

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CETP P11597 8/20 0.43
AR P10275 1/20 0.33
S1PR1 P21453 5/20 0.33
CRHR1 P34998 2/20 0.33
LTC4S Q16873 2/20 0.32
SERPINE1 P05121 2/20 0.32

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
SCHEMBL4493479 0.92 CETP (0.37) CETPARCRHR1LTC4SSERPINE1
SCHEMBL4490321 0.86 CETP (0.43) CETPARCRHR1LTC4S
SCHEMBL1588099 0.86 CETP (0.45) CETPARS1PR1LTC4SSERPINE1
SCHEMBL4496365 0.86 CETP (0.43) CETPCRHR1LTC4SSERPINE1
SCHEMBL1588409 0.85 CETP (0.46) CETPARS1PR1LTC4SSERPINE1
SCHEMBL4515207 0.85 CETP (0.45) CETPARCRHR1LTC4S
SCHEMBL13965567 0.84 CRHR1 (0.38) ARCRHR1
SCHEMBL4500073 0.84 AR (0.36) CETPARCRHR1
SCHEMBL22205111 0.79 CETP (0.44) CETPS1PR1LTC4SSERPINE1
SCHEMBL1588214 0.79 CETP (0.41) CETPARS1PR1LTC4S

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 CETP 1/4885AR 2569/4885S1PR1 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.