SCHEMBL2637555

SCHEMBL2637555

NC(=O)C(=O)N1CCC(Oc2ccncc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.53
CYP2C9 P11712 2/20 0.49
CYP2J2 P51589 2/20 0.49
ALDH1A1 P00352 2/20 0.45
HTT P42858 1/20 0.45
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NAMPT P43490 6/20 0.43
MMP1 P03956 1/20 0.43
PARP10 Q53GL7 1/20 0.42
IKBKB O14920 1/20 0.42
PDE4B Q07343 1/20 0.42
SCD5 Q86SK9 1/20 0.41

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
SCHEMBL30775323 0.92 EPHX2 (0.48) EPHX2CYP2C9CYP2J2NAMPTPDE4B
SCHEMBL639198 0.83 EPHX2 (0.60) EPHX2CYP2C9CYP2J2ALDH1A1HTT
SCHEMBL2637558 0.81 EPHX2 (0.52) EPHX2CYP2C9CYP2J2ALDH1A1HTT
SCHEMBL30775321 0.81 EPHX2 (0.46) EPHX2CYP2C9CYP2J2NAMPT
Hydrochloric Acid SCHEMBL70614 0.80 EPHX2 (0.51) EPHX2CYP2C9CYP2J2ALDH1A1HTT
SCHEMBL2637270 0.79 GPR119 (0.51) EPHX2ALDH1A1HTTNAMPTIKBKB
SCHEMBL30775358 0.78 EPHX2 (0.46) EPHX2CYP2C9CYP2J2ALDH1A1NAMPT
SCHEMBL2636803 0.78 CYP11B2 (0.45) EPHX2CYP2C9CYP2J2ALDH1A1HTT
SCHEMBL15808601 0.78 EPHX2 (0.51) EPHX2CYP2C9CYP2J2ALDH1A1HTT
SCHEMBL29132289 0.78 EPHX2 (0.54) EPHX2CYP2C9CYP2J2ALDH1A1HTT

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 9 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
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
WO-2018129403-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS YUMANITY THERAPEUTICS (US) 2018-07-12 WO disclosed
US-20180193325-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2018-07-12 US disclosed
US-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 US 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 1185/4885CYP2C9 3233/4885CYP2J2 3226/4885
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 EPHX2 1023/4885CYP2C9 2849/4885CYP2J2 761/4885
US-20180193325-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NLN, CLN6, OTC EPHX2 1185/4885CYP2C9 3233/4885CYP2J2 3226/4885

“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.