SCHEMBL3334771

SCHEMBL3334771

C[C@H]1[C@@H](C(C)(C)O)CCN1c1cc(F)c(C#N)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.49
LRRK2 Q5S007 2/20 0.37
CHRM2 P08172 2/20 0.35
CHRM1 P11229 1/20 0.35
CHRM5 P08912 1/20 0.34
TRPV4 Q9HBA0 1/20 0.34
DPP4 P27487 1/20 0.33
KDM1A O60341 1/20 0.33
USP14 P54578 1/20 0.33
PDE4B Q07343 4/20 0.32
PDE4D Q08499 1/20 0.32
KHK P50053 3/20 0.31
POLQ O75417 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
SCHEMBL3337979 0.84 AR (0.57) ARCHRM2CHRM1CHRM5KDM1A
SCHEMBL3336707 0.80 AR (0.48) ARLRRK2
SCHEMBL3335523 0.78 AR (0.49) ARLRRK2KHK
SCHEMBL3335254 0.77 AR (0.58) ARLRRK2CHRM2TRPV4KDM1A
SCHEMBL3335248 0.77 AR (0.54) AR
SCHEMBL3339789 0.77 AR (0.60) ARLRRK2
SCHEMBL3338918 0.76 AR (0.51) ARLRRK2
SCHEMBL3336219 0.75 AR (0.55) AR
SCHEMBL3339427 0.75 AR (0.55) AR
SCHEMBL3338591 0.74 AR (0.57) ARLRRK2

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 1/4885LRRK2 343/4885CHRM2 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.