SCHEMBL70403

SCHEMBL70403

CN(c1ccccc1Br)C1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 11/20 0.38
SLC6A4 P31645 10/20 0.38
IRAK4 Q9NWZ3 1/20 0.36
SLC18A3 Q16572 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
TIPARP Q7Z3E1 1/20 0.36
HTR2C P28335 4/20 0.36
SLC6A3 Q01959 6/20 0.35
HTR2A P28223 2/20 0.35
HTR2B P41595 2/20 0.35
HRH3 Q9Y5N1 2/20 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
Hydrochloric Acid SCHEMBL70914 0.98 HTR2C (0.38) SLC6A2SLC6A4IRAK4SLC18A3SIGMAR1
SCHEMBL1238976 0.84 CYP1A2 (0.41) HTR2CHTR2AHTR2BHRH3
Methylamine SCHEMBL28000602 0.79 CYP3A4 (0.42) SLC6A2SLC6A4SIGMAR1SLC6A3
SCHEMBL83792 0.79 SLC6A4 (0.47) SLC6A2SLC6A4IRAK4SLC18A3SIGMAR1
SCHEMBL13708519 0.78 HTR2A (0.45) HTR2CHTR2A
Hydrochloric Acid SCHEMBL70661 0.78 SLC6A4 (0.46) SLC6A2SLC6A4IRAK4HTR2CSLC6A3
Methylamine SCHEMBL28000436 0.78 CYP3A4 (0.41) SLC6A2SLC6A4SIGMAR1HTR2CSLC6A3
SCHEMBL1006288 0.77 SIGMAR1 (0.45) SLC6A2SLC6A4IRAK4SIGMAR1SLC6A3
SCHEMBL83005 0.77 HTR2C (0.53) SLC6A2SLC6A4HTR2CSLC6A3
SCHEMBL91490 0.77 NOS3 (0.34) HTR2CHTR2AHTR2BHRH3

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 7 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 disclosed
US-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 US disclosed
CN-102036558-A Novel piperidine derivatives as stearoyl-CoA desaturase inhibitors FOREST LAB HOLDINGS LTD 2011-04-27 CN disclosed
EP-2268143-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE Forest Laboratories Holdings Limited (BM) 2011-01-05 EP 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
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 (1 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-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 SLC6A2 4356/4885SLC6A4 4287/4885IRAK4 4120/4885

“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.