SCHEMBL2637359

SCHEMBL2637359

NCC(=O)N1CC(Oc2cc(F)cc(C(F)(F)F)c2)C1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 4/20 0.45
CACNA1G O43497 1/20 0.45
LIPG Q9Y5X9 3/20 0.41
CHRM3 P20309 2/20 0.40
RBP4 P02753 1/20 0.38
LIPC P11150 1/20 0.36
TACR1 P25103 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
GPR52 Q9Y2T5 1/20 0.35
SCN9A Q15858 1/20 0.34
RIPK1 Q13546 1/20 0.34
MGLL Q99685 1/20 0.34
ABHD6 Q9BV23 1/20 0.34
LIPE Q05469 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL2637608 0.88 LIPE (0.46) CACNA1HCACNA1GLIPGCHRM3LIPC
SCHEMBL2637358 0.84 LIPG (0.41) LIPGCHRM3RBP4LIPCTACR1
SCHEMBL2636375 0.82 ABHD6 (0.50) CACNA1HCACNA1GCHRM3SCN9AMGLL
SCHEMBL26394082 0.79 USP30 (0.44) LIPGCHRM3TACR1HDAC1HDAC2
SCHEMBL9901768 0.74 EPHX2 (0.46) LIPGCHRM3LIPCLIPE
SCHEMBL2637607 0.74 TP53 (0.42) LIPGCHRM3LIPCTACR1LIPE
SCHEMBL2636860 0.74 EPHX2 (0.53) CHRM3MGLLABHD6LIPE
SCHEMBL2636778 0.71 EPHX2 (0.58) MGLLABHD6LIPE
SCHEMBL20168877 0.70 RIPK1 (0.47) LIPGCHRM3RBP4SCN9ARIPK1
SCHEMBL3764929 0.70 HIF1A (0.47) SCN9A

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 10 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
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 CACNA1H 485/4885CACNA1G 348/4885LIPG 3603/4885
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 CACNA1H 3285/4885CACNA1G 3051/4885LIPG 321/4885
US-20180193325-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NLN, CLN6, OTC CACNA1H 485/4885CACNA1G 348/4885LIPG 3603/4885

“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.