SCHEMBL83384

SCHEMBL83384

FC(F)(F)c1ccccc1SC1CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.54
DDB1 Q16531 1/20 0.50
CRBN Q96SW2 1/20 0.50
SLC6A2 P23975 14/20 0.44
SLC6A4 P31645 14/20 0.44
SCD O00767 1/20 0.44
SLC6A3 Q01959 3/20 0.42
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR1A P08908 1/20 0.39

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 SCHEMBL68916 0.98 HTR2C (0.55) HTR2CDDB1CRBNSLC6A2SLC6A4
SCHEMBL22324786 0.77 MEN1 (0.42) HTR2CSLC6A2SLC6A4SLC6A3MEN1
Hydrochloric Acid SCHEMBL10667309 0.76 MEN1 (0.41) HTR2CSLC6A2SLC6A4SLC6A3MEN1
Hydrochloric Acid SCHEMBL70804 0.75 HTR2C (0.51) HTR2CDDB1CRBNSLC6A2SLC6A4
SCHEMBL83025 0.74 MEN1 (0.42) HTR2CSLC6A2SLC6A4MEN1CYP1A2
SCHEMBL83809 0.74 CYP1A2 (0.50) HTR2CSLC6A2SLC6A4SLC6A3MEN1
SCHEMBL15888653 0.74 HTR2C (0.50) HTR2CSLC6A2SLC6A4SLC6A3MEN1
Hydrochloric Acid SCHEMBL68997 0.72 MEN1 (0.41) HTR2CSLC6A2SLC6A4MEN1CYP1A2
Hydrochloric Acid SCHEMBL72071 0.72 CYP1A2 (0.49) HTR2CSLC6A2SLC6A4SLC6A3MEN1
SCHEMBL8863558 0.71 NOTUM (0.45) HTR2CDDB1CRBN

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
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 US disclosed
WO-2009117676-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 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 HTR2C 3384/4885DDB1 2642/4885CRBN 4482/4885

“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.