SCHEMBL2637686

SCHEMBL2637686

NCC(=O)N1CCC(Oc2ccccc2Br)CC1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCD O00767 10/20 0.54
KDM4E B2RXH2 1/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
IKBKB O14920 1/20 0.40
RBP4 P02753 1/20 0.40

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
SCHEMBL2636756 0.85 SCD (0.45) SCDKDM4ENPY1RNPY2RSMN1; SMN2
SCHEMBL2636564 0.85 CHRM3 (0.46) SCDKDM4ENPY1RNPY2RSMN1; SMN2
SCHEMBL2636380 0.84 SCD (0.60) SCD
Hydrochloric Acid SCHEMBL69704 0.83 SCD (0.62) SCD
SCHEMBL2637852 0.83 HRH1 (0.46) SCDKDM4ENPY1RNPY2RSMN1; SMN2
SCHEMBL2636653 0.83 KCNH2 (0.52) SCD
SCHEMBL2637684 0.82 SCD (0.47) SCDIKBKBRBP4
SCHEMBL2637126 0.82 SCD (0.49) SCDKDM4ENPY1RNPY2RSMN1; SMN2
SCHEMBL2636525 0.82 LMNA (0.45) SCDKDM4ENPY1RNPY2RSMN1; SMN2
SCHEMBL2636818 0.82 SCD (0.47) SCDKDM4ENPY1RNPY2RSMN1; SMN2

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
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
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 SCD 1194/4885KDM4E 3693/4885NPY1R 3267/4885
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 SCD 1/4885KDM4E 375/4885NPY1R 3995/4885
US-20180193325-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NLN, CLN6, OTC SCD 1194/4885KDM4E 3693/4885NPY1R 3267/4885

“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.