SCHEMBL83376

SCHEMBL83376

Cc1ccc(NC2CCNCC2)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.48
ATAD2 Q6PL18 4/20 0.48
RAPGEF4 Q8WZA2 1/20 0.46
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
HTR2C P28335 2/20 0.41
IRAK4 Q9NWZ3 2/20 0.41
MPI P34949 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
ITK Q08881 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP2D6 P10635 2/20 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 SCHEMBL69073 0.98 BRD4 (0.47) BRD4ATAD2RAPGEF4ALDH1A1LMNA
SCHEMBL82947 0.86 BRD4 (0.48) BRD4ATAD2RAPGEF4ALDH1A1HTR2C
Hydrochloric Acid SCHEMBL69124 0.85 BRD4 (0.47) BRD4ATAD2RAPGEF4ALDH1A1HTR2C
SCHEMBL13419405 0.83 BRD4 (0.43) BRD4ATAD2HTR2CIRAK4SLC6A2
SCHEMBL9923371 0.82 RAPGEF4 (0.48) RAPGEF4ALDH1A1LMNAMAPTCRHBP
SCHEMBL12277378 0.80 BRD4 (0.48) BRD4ATAD2ALDH1A1LMNAMAPT
SCHEMBL12415583 0.80 BRD4 (0.40) BRD4ATAD2HTR2CIRAK4SLC6A2
SCHEMBL82901 0.79 BRD4 (0.54) BRD4ATAD2MAPTHTR2CMEN1
SCHEMBL12990157 0.78 KMT2A (0.54) BRD4ATAD2RAPGEF4ALDH1A1LMNA
SCHEMBL427843 0.78 BRD4 (0.41) BRD4ATAD2ALDH1A1HTR2CIRAK4

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 1014/4885RAPGEF4 1121/4885

“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.