SCHEMBL2636804

SCHEMBL2636804

NCC(=O)N1CCC(Oc2cncc(Cl)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 6/20 0.45
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
EPHX2 P34913 3/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2J2 P51589 2/20 0.43
SPR P35270 1/20 0.41
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39

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 SCHEMBL70437 0.99 CYP11B2 (0.44) CYP11B2CHRNB2CHRNA4GRIN1GRIN2B
SCHEMBL2636803 0.83 CYP11B2 (0.45) CYP11B2CHRNB2CHRNA4GRIN1GRIN2B
SCHEMBL2637415 0.83 LIPE (0.45) CYP11B2EPHX2
SCHEMBL2636720 0.82 EPHX2 (0.55) EPHX2CYP2C9CYP2J2
SCHEMBL2637558 0.79 EPHX2 (0.52) EPHX2CYP2C9CYP2J2ALDH1A1HTT
SCHEMBL20137483 0.78 GPR119 (0.52) CYP11B2
Hydrochloric Acid SCHEMBL70614 0.77 EPHX2 (0.51) EPHX2CYP2C9CYP2J2ALDH1A1HTT
Hydrochloric Acid SCHEMBL2774389 0.77 CYP11B2 (0.43) CYP11B2CHRNB2CHRNA4GRIN1GRIN2B
SCHEMBL16505505 0.75 CHRNB2 (0.63) CHRNB2CHRNA4GRIN1GRIN2B
SCHEMBL2637111 0.75 KMT2A (0.39) EPHX2

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 CYP11B2 539/4885CHRNB2 190/4885CHRNA4 145/4885
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 CYP11B2 1772/4885CHRNB2 4609/4885CHRNA4 4326/4885
US-20180193325-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NLN, CLN6, OTC CYP11B2 539/4885CHRNB2 190/4885CHRNA4 145/4885

“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.