SCHEMBL2389350

SCHEMBL2389350

C[C@H]1[C@@H](O)CCN1c1ccc(C#N)cc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.51
DPP4 P27487 2/20 0.42
HSD11B1 P28845 2/20 0.41
KHK P50053 1/20 0.40
SSTR4 P31391 1/20 0.39
PREP P48147 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
TRPV4 Q9HBA0 1/20 0.37
POLQ O75417 2/20 0.37

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
SCHEMBL3339882 0.85 AR (0.55) ARDPP4HSD11B1SSTR4PREP
SCHEMBL13325452 0.80 AR (0.51) AR
SCHEMBL405883 0.79 S1PR1 (0.46) ARDPP4HSD11B1
SCHEMBL406831 0.79 S1PR1 (0.46) ARDPP4HSD11B1
SCHEMBL2417665 0.79 S1PR1 (0.46) ARDPP4HSD11B1
SCHEMBL2392424 0.77 AR (0.54) ARDPP4HSD11B1SSTR4PREP
SCHEMBL1963730 0.76 DPP4 (0.56) ARDPP4HSD11B1SSTR4PREP
SCHEMBL2390629 0.75 AR (0.60) AR
SCHEMBL3532873 0.74 NOTUM (0.48) ARDPP4HSD11B1PREPDPP8
SCHEMBL2391087 0.74 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2098507-B1 Cyclic amine compound as androgen receptor modulator TAKEDA PHARMACEUTICAL (JP) 2014-11-12 EP claimed
US-8592452-B2 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-26 US claimed
US-8013008-B2 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-09-06 US claimed
US-20100152236-A1 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-17 US claimed
US-20100087506-A1 CYCLIC AMINE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-08 US claimed
EP-2098507-A1 CYCLIC AMINE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-09-09 EP claimed
EP-1911743-A1 CYCLIC AMINE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP claimed
US-8592452-B2 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-26 US disclosed
US-8013008-B2 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-09-06 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-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
EP-2098507-A1 CYCLIC AMINE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-09-09 EP 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 (2 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 1/4885DPP4 4803/4885HSD11B1 138/4885
US-20100087506-A1 CYCLIC AMINE COMPOUND AR, FSHR, NR5A1 AR 1/4885DPP4 4047/4885HSD11B1 111/4885

“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.