SCHEMBL2390677

SCHEMBL2390677

C[C@@H]1N(c2cc(F)c(C#N)c(F)c2)CC[C@@]1(O)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.40
USP14 P54578 1/20 0.33
CHRM2 P08172 2/20 0.32
CHRM1 P11229 1/20 0.32
DPP4 P27487 1/20 0.32
TRPV4 Q9HBA0 1/20 0.32
ADAMTS5 Q9UNA0 1/20 0.32
CHRM5 P08912 1/20 0.31
PDE4B Q07343 3/20 0.31
PDE4D Q08499 1/20 0.30
AKR1B1 P15121 1/20 0.30

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
SCHEMBL16223901 1.00 AR (0.40) ARUSP14CHRM2CHRM1DPP4
SCHEMBL16223900 1.00 AR (0.40) ARUSP14CHRM2CHRM1DPP4
SCHEMBL2392083 0.84 AR (0.54) ARCHRM2AKR1B1
SCHEMBL2390283 0.84 AR (0.33) ARUSP14DPP4
SCHEMBL2391604 0.84 AR (0.55) ARUSP14CHRM2CHRM1DPP4
SCHEMBL2388911 0.80 AR (0.40) ARUSP14CHRM2CHRM1DPP4
SCHEMBL2394073 0.78 AR (0.39) ARUSP14CHRM2CHRM1DPP4
SCHEMBL2393269 0.73 AR (0.74) AR
SCHEMBL2392786 0.73 AR (0.40) ARUSP14CHRM2CHRM1DPP4
SCHEMBL2394187 0.73 AR (0.40) ARUSP14DPP4TRPV4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8013008-B2 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-09-06 US disclosed
US-8013008-B2 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-09-06 US disclosed
US-8013008-B2 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-09-06 US disclosed
US-20100087506-A1 CYCLIC AMINE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
US-20100087506-A1 CYCLIC AMINE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
US-20100087506-A1 CYCLIC AMINE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-2098507-A1 CYCLIC AMINE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-09-09 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-20100087506-A1 CYCLIC AMINE COMPOUND AR, FSHR, NR5A1 AR 1/4885USP14 3853/4885CHRM2 274/4885

“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.