SCHEMBL4497785

SCHEMBL4497785

NCCC(CC1CC1)c1nc2ccccc2cc1CNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 9/20 0.40
GPBAR1 Q8TDU6 2/20 0.40
CCR2 P41597 8/20 0.33
NPY1R P25929 1/20 0.33
NPY5R Q15761 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
SCHEMBL5623662 0.93 TACR1 (0.41) TACR1GPBAR1CCR2NPY1RNPY5R
SCHEMBL5623686 0.90 TACR1 (0.40) TACR1GPBAR1CCR2
SCHEMBL5627070 0.90 TACR1 (0.40) TACR1GPBAR1CCR2NPY1RNPY5R
SCHEMBL4508861 0.78 CETP (0.32) TACR1
SCHEMBL4496944 0.78 GPBAR1 (0.35) TACR1GPBAR1CCR2
SCHEMBL5046166 0.76 DRD4 (0.40) TACR1GPBAR1CCR2
SCHEMBL5626484 0.76 TACR1 (0.40) TACR1GPBAR1CCR2
SCHEMBL5802941 0.73 TACR1 (0.52) TACR1GPBAR1
SCHEMBL5623657 0.72 TACR1 (0.41) TACR1GPBAR1CCR2
SCHEMBL5626481 0.72 TACR1 (0.41) TACR1GPBAR1CCR2

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-20090023729-A1 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-22 US disclosed
EP-1979341-A1 TRISUBSTITUTED AMINE COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2008-10-15 EP disclosed
WO-2007088999-A1 TRISUBSTITUTED AMINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-08-09 WO 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 TACR1 3300/4885GPBAR1 270/4885CCR2 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.