SCHEMBL1010840

SCHEMBL1010840

NC(=O)C(=O)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.59
TP53 P04637 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
ABHD6 Q9BV23 2/20 0.49
MGLL Q99685 1/20 0.49
HRH1 P35367 1/20 0.46
CCR3 P51677 1/20 0.46
CNR1 P21554 1/20 0.45
OPRK1 P41145 2/20 0.45
SCN10A Q9Y5Y9 1/20 0.45
CHRM3 P20309 1/20 0.44
LIPE Q05469 1/20 0.44
FFAR1 O14842 2/20 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
Hydrochloric Acid SCHEMBL2636993 0.99 EPHX2 (0.58) EPHX2TP53MEN1KMT2ASLC6A2
SCHEMBL2636858 0.93 EPHX2 (0.54) EPHX2TP53MEN1KMT2ASLC6A2
SCHEMBL13536329 0.88 EPHX2 (0.57) EPHX2TP53MEN1KMT2ASLC6A2
SCHEMBL2636372 0.88 ABHD6 (0.51) EPHX2TP53MEN1KMT2ASLC6A2
SCHEMBL10606827 0.88 EPHX2 (0.64) EPHX2TP53MEN1KMT2ASLC6A2
SCHEMBL9903075 0.86 EPHX2 (0.65) EPHX2TP53MEN1KMT2ASLC6A2
SCHEMBL2636778 0.84 EPHX2 (0.58) EPHX2TP53MEN1KMT2ASLC6A2
SCHEMBL1809379 0.84 EPHX2 (0.55) EPHX2TP53MEN1KMT2AMGLL
Hydrochloric Acid SCHEMBL69800 0.83 EPHX2 (0.57) EPHX2TP53MEN1KMT2ASLC6A2
SCHEMBL2637607 0.83 TP53 (0.42) EPHX2TP53MEN1KMT2ACHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 US claimed
WO-2009117676-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 WO claimed
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 US claimed
US-10973810-B2 Methods for the treatment of neurological disorders YUMANITY THERAPEUTICS, INC. (US) 2021-04-13 US disclosed
EP-3566055-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS Yumanity Therapeutics, Inc. (US) 2019-11-13 EP disclosed
US-20180193325-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2018-07-12 US disclosed
WO-2018129403-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS YUMANITY THERAPEUTICS (US) 2018-07-12 WO disclosed
US-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 US disclosed
EP-2268143-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE Forest Laboratories Holdings Limited (BM) 2011-01-05 EP disclosed
WO-2009117676-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 WO disclosed
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 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 (3 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-10973810-B2 Methods for the treatment of neurological disorders NLN, CLN6, OTC EPHX2 1185/4885TP53 4097/4885MEN1 2780/4885
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 EPHX2 1023/4885TP53 4783/4885MEN1 4884/4885
US-20180193325-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NLN, CLN6, OTC EPHX2 1185/4885TP53 4097/4885MEN1 2780/4885

“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.