SCHEMBL83005

SCHEMBL83005

CN(c1ccccc1C(F)(F)F)C1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.53
SLC6A2 P23975 18/20 0.52
SLC6A4 P31645 18/20 0.52
SLC6A3 Q01959 4/20 0.50

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 SCHEMBL70546 0.98 HTR2C (0.54) HTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL92138 0.78 NOS3 (0.36) HTR2CSLC6A2SLC6A4
SCHEMBL83792 0.77 SLC6A4 (0.47) SLC6A2SLC6A4SLC6A3
SCHEMBL70403 0.77 SLC6A2 (0.38) HTR2CSLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL70914 0.75 HTR2C (0.38) HTR2CSLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL70661 0.75 SLC6A4 (0.46) HTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL1006288 0.74 SIGMAR1 (0.45) SLC6A2SLC6A4SLC6A3
SCHEMBL5183725 0.74 RBP4 (0.48) SLC6A2SLC6A4SLC6A3
SCHEMBL3174299 0.73 TAS1R3 (0.38) HTR2CSLC6A2SLC6A4
Hydrochloric Acid SCHEMBL7331996 0.73 SIGMAR1 (0.44) HTR2CSLC6A2SLC6A4SLC6A3

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-7951805-B2 Heterocyclic derivatives and their use as mediators of stearoyl-CoA desaturase XENON PHARMACEUTICALS INC. (CA) 2011-05-31 US disclosed
CN-102036558-A Novel piperidine derivatives as stearoyl-CoA desaturase inhibitors FOREST LAB HOLDINGS LTD 2011-04-27 CN disclosed
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 US disclosed
US-20070299081-A1 Heterocyclic Derivatives and Their Use as Mediators of Stearoyl-Coa Desaturase XENON PHARMACEUTICALS INC. (CA) 2007-12-27 US disclosed
EP-1799668-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS MEDIATORS OF STEAROYL-COA DESATURASE XENON PHARMACEUTICALS INC. (CA) 2007-06-27 EP disclosed
WO-2006034338-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS MEDIATORS OF STEAROYL-COA DESATURASE XENON PHARMACEUTICALS INC. (CA) 2006-03-30 WO 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 (2 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 HTR2C 3384/4885SLC6A2 4356/4885SLC6A4 4287/4885
US-20070299081-A1 Heterocyclic Derivatives and Their Use as Mediators of Stearoyl-Coa Desaturase SCD, SCD5, NR1H2 HTR2C 3104/4885SLC6A2 4724/4885SLC6A4 4725/4885

“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.