SCHEMBL3337979

SCHEMBL3337979

C[C@H]1[C@@H](C(C)(C)O)CCN1c1ccc(C#N)c(F)c1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 13/20 0.57
GPR119 Q8TDV5 1/20 0.38
CHRM2 P08172 2/20 0.38
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
KDM1A O60341 2/20 0.36
CHRM4 P08173 1/20 0.36
USP14 P54578 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
SCHEMBL3339789 0.88 AR (0.60) AR
SCHEMBL3336219 0.85 AR (0.55) AR
SCHEMBL3336659 0.85 AR (0.57) AR
SCHEMBL3338591 0.85 AR (0.57) AR
SCHEMBL3334771 0.84 AR (0.49) ARCHRM2CHRM5CHRM1KDM1A
SCHEMBL13651225 0.83 AR (0.54) ARCHRM2
SCHEMBL3339683 0.83 AR (0.55) ARCHRM4
SCHEMBL3335254 0.81 AR (0.58) ARGPR119CHRM2KDM1AUSP14
SCHEMBL3335248 0.79 AR (0.54) AR
SCHEMBL3338918 0.78 AR (0.51) AR

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 6 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
US-20100152236-A1 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-17 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
EP-1911743-A1 CYCLIC AMINE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 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 1/4885GPR119 45/4885CHRM2 47/4885

“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.