SCHEMBL83792

SCHEMBL83792

CN(c1ccccc1Cl)C1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.47
SLC6A2 P23975 9/20 0.47
SLC6A3 Q01959 6/20 0.47
KCNH2 Q12809 1/20 0.37
FLT3 P36888 1/20 0.37
ADRB1 P08588 1/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
HTR1A P08908 1/20 0.37
CHRM1 P11229 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
SLC18A3 Q16572 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
TIPARP Q7Z3E1 1/20 0.36

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 SCHEMBL70661 0.98 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3KCNH2FLT3
SCHEMBL31322347 0.87 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3KCNH2ADRB1
SCHEMBL70403 0.79 SLC6A2 (0.38) SLC6A4SLC6A2SLC6A3IRAK4SLC18A3
Nitrogen SCHEMBL10785330 0.79 HPGD (0.49)
Hydrochloric Acid SCHEMBL70914 0.78 HTR2C (0.38) SLC6A4SLC6A2SLC6A3IRAK4SLC18A3
SCHEMBL1006288 0.77 SIGMAR1 (0.45) SLC6A4SLC6A2SLC6A3KCNH2FLT3
SCHEMBL83005 0.77 HTR2C (0.53) SLC6A4SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL7331996 0.76 SIGMAR1 (0.44) SLC6A4SLC6A2SLC6A3KCNH2FLT3
Hydrochloric Acid SCHEMBL70546 0.76 HTR2C (0.54) SLC6A4SLC6A2SLC6A3
SCHEMBL27432324 0.76 SLC6A2 (0.36) SLC6A4SLC6A2SLC6A3IRAK4SLC18A3

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 3 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
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

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 SLC6A4 4287/4885SLC6A2 4356/4885SLC6A3 4513/4885

“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.