SCHEMBL4497783

SCHEMBL4497783

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

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 7/20 0.40
CNR2 P34972 3/20 0.39
GPBAR1 Q8TDU6 2/20 0.39
CRHR1 P34998 5/20 0.36
PLK1 P53350 2/20 0.36
AR P10275 1/20 0.35
CNR1 P21554 1/20 0.35

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
SCHEMBL13975427 0.95 CNR2 (0.37) TACR1CNR2GPBAR1CRHR1PLK1
SCHEMBL5623657 0.93 TACR1 (0.41) TACR1CNR2GPBAR1CRHR1
SCHEMBL5623681 0.90 TACR1 (0.40) TACR1CNR2GPBAR1
SCHEMBL5627067 0.90 TACR1 (0.40) TACR1CNR2GPBAR1
SCHEMBL13965585 0.87 DRD4 (0.40) TACR1CNR2GPBAR1CRHR1PLK1
SCHEMBL13965584 0.87 CRHR1 (0.40) CNR2CRHR1
SCHEMBL13965586 0.85 CRHR1 (0.37) CNR2CRHR1
SCHEMBL13974897 0.83 DRD4 (0.38) CNR2CRHR1PLK1
SCHEMBL4509471 0.83 AR (0.39) TACR1CNR2GPBAR1CRHR1PLK1
SCHEMBL5050241 0.81 TACR1 (0.39) TACR1CNR2GPBAR1CRHR1

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 5 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
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
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 3300/4885CNR2 1150/4885GPBAR1 270/4885

“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.