SCHEMBL13633835

SCHEMBL13633835

CCn1c(C)ccc1-c1ccc(C)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
ALDH1A1 P00352 5/20 0.34
MAPT P10636 5/20 0.34
NPC1 O15118 4/20 0.34
HSD17B10 Q99714 2/20 0.34
GFER P55789 1/20 0.34
HSF1 Q00613 2/20 0.34
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
HPGD P15428 3/20 0.31
LMNA P02545 2/20 0.31
POLB P06746 1/20 0.31
TNFRSF1A P19438 1/20 0.31
MAPK1 P28482 1/20 0.31
NTRK1 P04629 1/20 0.31

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
SCHEMBL14360697 0.75 NPC1 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1544486 0.71 ALDH1A1 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6760708 0.70
SCHEMBL29764 0.67 NPC1 (0.52) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL12982161 0.65 NPC1 (0.50) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL12982405 0.65 NPC1 (0.50) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL11997754 0.65 NPC1 (0.50) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL12170048 0.65 NPC1 (0.50) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL120939 0.65 NPC1 (0.50) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL14750542 0.64 HSD17B10 (0.41) ALDH1A1MAPTNPC1HSD17B10GFER

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-20090275565-A1 Substituted aralkyl derivatives CADILA HEALTHCARE LIMITED (IN) 2009-11-05 US disclosed
US-20090275565-A1 Substituted aralkyl derivatives CADILA HEALTHCARE LIMITED (IN) 2009-11-05 US disclosed
EP-1569916-B1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LTD (IN) 2009-01-07 EP 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-20090275565-A1 Substituted aralkyl derivatives UGT1A7, UGT1A10, UGT2B7 CHRM2 2375/4885CHRM4 3065/4885CHRM5 2305/4885

“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.