SCHEMBL2636041

SCHEMBL2636041

CN(c1ccccc1Br)C1CCN(C(=O)CN)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
CDYL Q9Y232 2/20 0.39
CDY1; CDY1B Q9Y6F8 1/20 0.39
KDM1A O60341 2/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.38
OPRD1 P41143 2/20 0.37
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
CBX7 O95931 1/20 0.35
CDYL2 Q8N8U2 1/20 0.35
MEN1 O00255 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL2636552 0.85 OPRM1 (0.42) SMN1; SMN2ALDH1A1KMT2ALMNACDYL
SCHEMBL27851461 0.84 L3MBTL3 (0.41) SMN1; SMN2ALDH1A1KMT2ALMNAKDM1A
SCHEMBL2636039 0.83 L3MBTL3 (0.38) SMN1; SMN2ALDH1A1KMT2ALMNACDYL
SCHEMBL2636976 0.82 RBP4 (0.47) SMN1; SMN2ALDH1A1KMT2ALMNACDYL
SCHEMBL29384697 0.78 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1KMT2ALMNARAB9A
SCHEMBL69742 0.78 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1KMT2ALMNARAB9A
SCHEMBL69078 0.78 GPR119 (0.51) KMT2AMEN1
SCHEMBL13708519 0.76 HTR2A (0.45) SMN1; SMN2ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL91490 0.75 NOS3 (0.34) SMN1; SMN2ALDH1A1KMT2ALMNAMEN1
SCHEMBL1064003 0.74 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1LMNASIGMAR1L3MBTL3

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 SMN1; SMN2 7/4885ALDH1A1 934/4885KMT2A 2541/4885
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 SMN1; SMN2 3937/4885ALDH1A1 784/4885KMT2A 1352/4885
US-20180193325-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NLN, CLN6, OTC SMN1; SMN2 7/4885ALDH1A1 934/4885KMT2A 2541/4885

“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.