SCHEMBL17728678

SCHEMBL17728678

CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ccc(C#N)c(C(F)(F)F)c2)C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.47
GPR119 Q8TDV5 1/20 0.47
USP30 Q70CQ3 2/20 0.46
AR P10275 5/20 0.45
TRPA1 O75762 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MAPT P10636 3/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 1/20 0.44
GFER P55789 1/20 0.43
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PIK3CD O00329 1/20 0.43

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
SCHEMBL17728677 1.00 TRPV1 (0.47) TRPV1GPR119USP30ARTRPA1
SCHEMBL416256 0.88 ALDH1A1 (0.57) GPR119ARTRPA1MAPTALDH1A1
SCHEMBL16321232 0.86 TRPA1 (0.49) ARTRPA1MAPTKMT2AGFER
SCHEMBL29136118 0.82 ALDH1A1 (0.53) GPR119USP30MAPTKMT2AALDH1A1
SCHEMBL13238912 0.81 ALDH1A1 (0.53) GPR119USP30HDAC6MAPTKMT2A
SCHEMBL3038785 0.80 TRPA1 (0.48) ARTRPA1
SCHEMBL16321644 0.80 TRPA1 (0.48) ARTRPA1
SCHEMBL24781306 0.79 KMT2A (0.59) TRPV1USP30HDAC4HDAC6MAPT
SCHEMBL16878999 0.79 PDE4B (0.53) GPR119ARMAPTKMT2AALDH1A1
SCHEMBL30028550 0.79 KMT2A (0.59) TRPV1USP30HDAC4HDAC6MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9890139-B2 CYP17 inhibitors/antiandrogens ORION CORPORATION (FI) 2018-02-13 US disclosed
US-20160130254-A1 NOVEL CYP17 INHIBITORS/ANTIANDROGENS ORION CORPORATION (FI) 2016-05-12 US 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-20160130254-A1 NOVEL CYP17 INHIBITORS/ANTIANDROGENS CYP17A1, CYP19A1, CYP21A2 TRPV1 4103/4885GPR119 301/4885USP30 1568/4885

“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.