SCHEMBL82947

SCHEMBL82947

Cc1ccc(C)c(NC2CCNCC2)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
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
RAPGEF4 Q8WZA2 1/20 0.44
HDAC8 Q9BY41 1/20 0.42
HTR2C P28335 2/20 0.41
IRAK4 Q9NWZ3 2/20 0.41
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39
ITK Q08881 1/20 0.39
ALOX12 P18054 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 2/20 0.39
CYP2D6 P10635 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
GAA P10253 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 SCHEMBL69124 0.98 BRD4 (0.47) BRD4ATAD2ALDH1A1KDM4EPOLB
SCHEMBL5608680 0.87 ALDH1A1 (0.54) ALDH1A1KDM4EPOLBRAPGEF4HDAC8
SCHEMBL83376 0.86 BRD4 (0.48) BRD4ATAD2ALDH1A1RAPGEF4HTR2C
Hydrochloric Acid SCHEMBL69073 0.85 BRD4 (0.47) BRD4ATAD2ALDH1A1RAPGEF4HTR2C
SCHEMBL20817932 0.83 BRD4 (0.46) BRD4ATAD2HDAC8TP53THRB
SCHEMBL5608474 0.82 HDAC8 (0.59) ALDH1A1KDM4EPOLBRAPGEF4HDAC8
SCHEMBL427843 0.81 BRD4 (0.41) BRD4ATAD2ALDH1A1HTR2CIRAK4
SCHEMBL12277378 0.80 BRD4 (0.48) BRD4ATAD2ALDH1A1HDAC8HTR2C
SCHEMBL13419405 0.80 BRD4 (0.43) BRD4ATAD2HTR2CIRAK4ITK
Hydrochloric Acid SCHEMBL69986 0.80 BRD4 (0.43) BRD4ATAD2ALDH1A1HDAC8IRAK4

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 1014/4885ALDH1A1 784/4885

“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.