SCHEMBL70402

SCHEMBL70402

Brc1ccccc1CNC1CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.52
SLC6A4 P31645 3/20 0.52
SLC6A3 Q01959 1/20 0.52
KDM1A O60341 3/20 0.49
SOS1 Q07889 1/20 0.46
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
KMT2A Q03164 2/20 0.40
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
CISD1 Q9NZ45 1/20 0.37
MAOB P27338 1/20 0.37
HTR1B P28222 1/20 0.37
HTR2A P28223 1/20 0.37
ALDH1A1 P00352 2/20 0.37
ATM Q13315 1/20 0.37

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 SCHEMBL70913 0.98 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3KDM1ASOS1
SCHEMBL902134 0.88 KDM1A (0.56) SLC6A2SLC6A4SLC6A3KDM1ALMNA
SCHEMBL5988222 0.84 SLC6A4 (0.45) SLC6A2SLC6A4SLC6A3KDM1ASOS1
SCHEMBL2779198 0.80 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3KDM1ASOS1
SCHEMBL27978884 0.80 SLC6A4 (0.52) SLC6A2SLC6A4SLC6A3KDM1ASOS1
SCHEMBL14044360 0.80 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3KDM1ASOS1
SCHEMBL20324368 0.80 FFAR1 (0.46) SLC6A2SLC6A4SLC6A3KDM1ALMNA
Formic Acid SCHEMBL5072993 0.79 KDM1A (0.48) SLC6A4KDM1ALMNAHTTKMT2A
Hydrochloric Acid SCHEMBL70660 0.79 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3KDM1ASOS1
SCHEMBL15025473 0.78 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3KDM1ASOS1

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 5 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
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

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 4287/4885SLC6A3 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.