SCHEMBL82566

SCHEMBL82566

Cc1cccc(NC2CCNCC2)c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.55
ATAD2 Q6PL18 3/20 0.55
HTR2C P28335 4/20 0.53
CYP1A2 P05177 2/20 0.45
MEN1 O00255 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
KMT2A Q03164 1/20 0.45
GAA P10253 2/20 0.44
LMNA P02545 1/20 0.44
ALOX12 P18054 1/20 0.44
KDM1A O60341 1/20 0.44
HSD17B10 Q99714 1/20 0.43
RAPGEF4 Q8WZA2 1/20 0.42
ADRB1 P08588 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40

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 SCHEMBL70439 0.98 HTR2C (0.54) BRD4ATAD2HTR2CCYP1A2MEN1
SCHEMBL9312178 0.90 BRD4 (0.56) BRD4ATAD2HTR2CGAALMNA
SCHEMBL82901 0.86 BRD4 (0.54) BRD4ATAD2HTR2CCYP1A2MEN1
Hydrochloric Acid SCHEMBL68445 0.84 BRD4 (0.52) BRD4ATAD2HTR2CCYP1A2MEN1
SCHEMBL27849930 0.82 GAA (0.62) GAALMNAALOX12RAPGEF4ALDH1A1
SCHEMBL9310589 0.81 PRKCZ (0.53) BRD4ATAD2GAALMNAALOX12
SCHEMBL11457761 0.80 HTR2C (0.49) BRD4ATAD2HTR2CCYP1A2MEN1
SCHEMBL15830210 0.79 GAA (0.44) BRD4GAALMNAALOX12RAPGEF4
SCHEMBL2093106 0.79 GAA (0.44) BRD4ATAD2GAALMNAALOX12
SCHEMBL6255267 0.79 BRD4 (0.48) BRD4ATAD2HTR2CCYP1A2MEN1

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 2 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

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 BRD4 204/4885ATAD2 1014/4885HTR2C 3384/4885

“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.