SCHEMBL83015

SCHEMBL83015

O=[N+]([O-])c1ccccc1OC1CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 6/20 0.54
SLC6A2 P23975 4/20 0.52
SLC6A4 P31645 1/20 0.52
SCD O00767 1/20 0.52
HTR1A P08908 3/20 0.50
SLC6A3 Q01959 2/20 0.50
ALDH1A1 P00352 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
NPC1 O15118 1/20 0.47
RECQL P46063 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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 SCHEMBL70340 0.98 HRH1 (0.53) HRH1SLC6A2SLC6A4SCDHTR1A
SCHEMBL11044936 0.89 SCD (0.58) SLC6A2SLC6A4SCDALDH1A1TDP1
SCHEMBL31540614 0.89 SCD (0.58) SLC6A2SLC6A4SCDALDH1A1TDP1
SCHEMBL17154906 0.85 SLC6A2 (0.49) HRH1SLC6A2SLC6A4SCDHTR1A
SCHEMBL11556623 0.85 SCD (0.55) SLC6A2SLC6A4SCDALDH1A1TDP1
SCHEMBL1473123 0.85 SCD (0.55) SLC6A2SLC6A4SCDALDH1A1TDP1
SCHEMBL3800700 0.84 SCD (0.54) SLC6A2SLC6A4SCDALDH1A1TDP1
SCHEMBL3805044 0.83 SCD (0.53) SLC6A2SLC6A4SCDALDH1A1TDP1
SCHEMBL9503416 0.81 SCD (0.52) SLC6A2SLC6A4SCDALDH1A1TDP1
SCHEMBL11453761 0.80 ALDH1A1 (0.55) SLC6A2SLC6A4SCDALDH1A1TDP1

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 4 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-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 US disclosed
EP-1157021-A1 SULFAMATO HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 2001-11-28 EP disclosed
WO-2000046221-A1 SULFAMATO HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 2000-08-10 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 (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 HRH1 3572/4885SLC6A2 4356/4885SLC6A4 4287/4885

“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.