SCHEMBL3335216

SCHEMBL3335216

N#Cc1ccc(F)c(C=O)c1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 16/20 0.41
PGR P06401 5/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TRPV4 Q9HBA0 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
SLC22A12 Q96S37 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
SCHEMBL25330458 0.82 AR (0.41) ARPGRTRPV4CYP11B1CYP11B2
SCHEMBL31131379 0.82 AR (0.41) ARPGRTRPV4CYP11B1CYP11B2
SCHEMBL7266136 0.81 CYP2C9 (0.41) CYP2D6CYP2C9
SCHEMBL29775990 0.81 CYP2C9 (0.41) CYP2D6CYP2C9
SCHEMBL29713463 0.79 TRPV4 (0.38) CYP2D6CYP2C9TRPV4CYP11B1CYP11B2
SCHEMBL2860228 0.79 TRPV4 (0.38) CYP2D6CYP2C9TRPV4CYP11B1CYP11B2
SCHEMBL31131413 0.77 AR (0.45) ARPGRTRPV4CYP11B1CYP11B2
SCHEMBL25330095 0.77 AR (0.45) ARPGRTRPV4CYP11B1CYP11B2
SCHEMBL23835363 0.76 TRPV4 (0.36) CYP2C9TRPV4CYP11B1CYP11B2
SCHEMBL3338605 0.76 CYP11B2 (0.37) ARTRPV4CYP11B1CYP11B2

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-8592452-B2 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-26 US disclosed
US-20100152236-A1 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-17 US disclosed
EP-1911743-A1 CYCLIC AMINE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP disclosed
CN-85106878-A The method for preparing compound 1986-07-23 CN disclosed
EP-0174131-A2 Dihydropyridines, processes and intermediates for their production, and pharmaceutical formulations containing them FISONS plc (GB) 1986-03-12 EP 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-20100152236-A1 Cyclic amine compound AR, FSHR, NR5A1 AR 1/4885PGR 18/4885CYP2D6 2016/4885

“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.