SCHEMBL13633899

SCHEMBL13633899

CCn1c(C)ccc1-c1cc2ccccc2o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.47
SIRT1 Q96EB6 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 3/20 0.41
NPC1 O15118 1/20 0.41
STAT1 P42224 1/20 0.41
RAB9A P51151 1/20 0.41
MAOB P27338 3/20 0.41
MAOA P21397 2/20 0.41
ALDH1A1 P00352 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
F2RL3 Q96RI0 3/20 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
SCHEMBL30036439 0.70 MAOB (0.63) SMN1; SMN2MAPTNPC1RAB9AMAOB
SCHEMBL103158 0.70 MAOB (0.63) SMN1; SMN2MAPTNPC1RAB9AMAOB
SCHEMBL7125503 0.68 MAOB (0.52) SMN1; SMN2MAPTNPC1STAT1RAB9A
SCHEMBL11672616 0.67 MAOB (0.56) SMN1; SMN2MAPTNPC1RAB9AMAOB
SCHEMBL31069533 0.67 NPC1 (0.47) SMN1; SMN2MAPTNPC1STAT1RAB9A
Hydrochloric Acid SCHEMBL9295108 0.67 ADRA2A (0.67) SIRT2SIRT1SMN1; SMN2MAPTNPC1
SCHEMBL2150499 0.66 MAOB (0.59) SMN1; SMN2MAPTNPC1RAB9AMAOB
Ethylamine SCHEMBL9130759 0.66 MAOB (0.59) SMN1; SMN2MAPTNPC1RAB9AMAOB
SCHEMBL15671031 0.66 MAOB (0.42) SMN1; SMN2MAPTNPC1RAB9AMAOB
SCHEMBL11673327 0.65 MAOB (0.58) SMN1; SMN2MAPTNPC1RAB9AMAOB

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-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

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 SIRT2 3980/4885SIRT1 4296/4885SMN1; SMN2 2873/4885

“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.