SCHEMBL2636063

SCHEMBL2636063

N#Cc1ccccc1OC1CCN(C(=O)CN)CC1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.55
SCD O00767 5/20 0.50
TP53 P04637 1/20 0.48
TBK1 Q9UHD2 4/20 0.46
THRB P10828 1/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.43
IKBKE Q14164 1/20 0.42

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 SCHEMBL69862 0.99 EPHX2 (0.54) EPHX2SCDTP53TBK1THRB
SCHEMBL4655923 0.84 EPHX2 (0.56) EPHX2SCDTP53ALDH1A1
SCHEMBL2636062 0.84 EPHX2 (0.53) EPHX2SCDTP53ALDH1A1
SCHEMBL2636756 0.82 SCD (0.45) EPHX2SCD
SCHEMBL2636564 0.82 CHRM3 (0.46) SCD
SCHEMBL2636380 0.81 SCD (0.60) EPHX2SCD
SCHEMBL2637686 0.81 SCD (0.54) SCD
SCHEMBL2636653 0.80 KCNH2 (0.52) SCDALDH1A1
Hydrochloric Acid SCHEMBL69704 0.80 SCD (0.62) EPHX2SCD
SCHEMBL2637852 0.80 HRH1 (0.46) EPHX2SCD

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 8 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
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 1185/4885SCD 1194/4885TP53 4097/4885
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 EPHX2 1023/4885SCD 1/4885TP53 4783/4885
US-20180193325-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NLN, CLN6, OTC EPHX2 1185/4885SCD 1194/4885TP53 4097/4885

“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.