SCHEMBL3335254

SCHEMBL3335254

C[C@H]1[C@@H](C(C)(C)O)CCN1c1cc(F)c(C#N)cc1F

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.58
CHRM2 P08172 1/20 0.35
AKR1B1 P15121 1/20 0.34
USP14 P54578 1/20 0.34
LRRK2 Q5S007 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
USP30 Q70CQ3 1/20 0.32
KDM1A O60341 1/20 0.31
GPR119 Q8TDV5 1/20 0.31

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
SCHEMBL3339427 0.89 AR (0.55) ARALDH1A1
SCHEMBL3338918 0.81 AR (0.51) ARLRRK2
SCHEMBL3337979 0.81 AR (0.57) ARCHRM2USP14KDM1AGPR119
SCHEMBL3334771 0.77 AR (0.49) ARCHRM2USP14LRRK2TRPV4
SCHEMBL3337735 0.77 AR (0.64) AR
SCHEMBL3334458 0.76 AR (0.47) ARLRRK2
SCHEMBL3336707 0.76 AR (0.48) ARLRRK2ALDH1A1GPR119
SCHEMBL3333009 0.76 AR (0.54) AR
SCHEMBL3336405 0.75 AR (0.56) ARALDH1A1
SCHEMBL13303258 0.75 AR (0.56) ARALDH1A1

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 1/4885CHRM2 47/4885AKR1B1 197/4885

“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.