SCHEMBL4496944

SCHEMBL4496944

CSc1ncc(CNCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C(CCN)CC2CC2)n1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 2/20 0.35
TACR1 P25103 1/20 0.33
CCR2 P41597 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
SCHEMBL4488838 0.81 CETP (0.31)
SCHEMBL4497785 0.78 TACR1 (0.40) GPBAR1TACR1CCR2
SCHEMBL4496943 0.73 AR (0.38) GPBAR1TACR1
SCHEMBL4234307 0.71 GPBAR1 (0.37) GPBAR1TACR1CCR2
SCHEMBL5623662 0.71 TACR1 (0.41) GPBAR1TACR1CCR2
SCHEMBL4496663 0.69 CETP (0.32)
SCHEMBL5623804 0.69 TACR1 (0.31) GPBAR1TACR1
SCHEMBL5623686 0.68 TACR1 (0.40) GPBAR1TACR1CCR2
SCHEMBL5628380 0.68 TACR1 (0.33) GPBAR1TACR1CCR2
SCHEMBL5627070 0.68 TACR1 (0.40) GPBAR1TACR1CCR2

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 GPBAR1 270/4885TACR1 3300/4885CCR2 1966/4885

“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.