SCHEMBL10147111

SCHEMBL10147111

Cc1ccc(C2CCC(c3ccc(C(C)C)cc3)N2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.41
ALDH1A1 P00352 1/20 0.39
TP53 P04637 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KCNH2 Q12809 1/20 0.36
SCN3A Q9NY46 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.34

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
SCHEMBL10141182 0.92 HPGD (0.46) HPGDALDH1A1TDP1CHRM2CHRM4
SCHEMBL12232396 0.86 MAPT (0.42) ALDH1A1TDP1MAPTNPSR1SMN1; SMN2
SCHEMBL4909942 0.85 HPGD (0.47) HPGDALDH1A1TP53TDP1NPSR1
SCHEMBL4873791 0.85 HPGD (0.47) HPGDALDH1A1TP53TDP1NPSR1
SCHEMBL4873782 0.85 HPGD (0.47) HPGDALDH1A1TP53TDP1NPSR1
SCHEMBL4871362 0.78 MAPT (0.39) TDP1MAPTNPSR1ATMGFER
SCHEMBL4870454 0.78 MAPT (0.39) TDP1MAPTNPSR1ATMGFER
Hydrochloric Acid SCHEMBL4912494 0.76 MAPT (0.38) MAPTNPSR1ATMGFER
SCHEMBL23891619 0.75 MAPT (0.41) ALDH1A1TDP1MAPTNPSR1SMN1; SMN2
SCHEMBL22918217 0.75 HPGD (0.44) HPGDALDH1A1TDP1CHRM2CHRM4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120076755-A1 Hepatitis C Virus Inhibitors ENANTA PHARMACEUTICALS, INC. 2012-03-29 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-20120076755-A1 Hepatitis C Virus Inhibitors NSUN2, HCCS, HAVCR2 HPGD 2627/4885ALDH1A1 984/4885TP53 1676/4885

“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.