SCHEMBL2392424

SCHEMBL2392424

C[C@@H]1N(c2ccc(C#N)cc2C(F)(F)F)CC[C@]1(C)O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.54
HSD11B1 P28845 2/20 0.40
DPP4 P27487 2/20 0.39
PREP P48147 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
TRPV4 Q9HBA0 1/20 0.36
SSTR4 P31391 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AOC3 Q16853 1/20 0.36
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
TRPA1 O75762 2/20 0.35
CCR2 P41597 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
SCHEMBL2391127 0.86 AR (0.40) ARHSD11B1DPP4PREPDPP8
SCHEMBL2391979 0.84 AR (0.39) ARHSD11B1DPP4PREPDPP8
SCHEMBL2389350 0.77 AR (0.51) ARHSD11B1DPP4PREPDPP8
SCHEMBL405883 0.75 S1PR1 (0.46) ARHSD11B1DPP4KDM4EALDH1A1
SCHEMBL406831 0.75 S1PR1 (0.46) ARHSD11B1DPP4KDM4EALDH1A1
SCHEMBL2417665 0.75 S1PR1 (0.46) ARHSD11B1DPP4KDM4EALDH1A1
SCHEMBL3339882 0.75 AR (0.55) ARHSD11B1DPP4PREPDPP8
SCHEMBL13384841 0.75 AR (0.72) AR
SCHEMBL1968214 0.74 PDE3B (0.46) HSD11B1DPP4PREPDPP8DPP9
SCHEMBL3532873 0.73 NOTUM (0.48) ARHSD11B1DPP4PREPDPP8

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
EP-2098507-B1 Cyclic amine compound as androgen receptor modulator TAKEDA PHARMACEUTICAL (JP) 2014-11-12 EP disclosed
EP-2098507-B1 Cyclic amine compound as androgen receptor modulator TAKEDA PHARMACEUTICAL (JP) 2014-11-12 EP 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-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
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 1/4885HSD11B1 111/4885DPP4 4047/4885

“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.