SCHEMBL2756809

SCHEMBL2756809

CCC(C)[C@@H]1C[C@H](c2ccco2)CN1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.39
CHRM4 P08173 4/20 0.39
CHRM5 P08912 4/20 0.39
CHRM1 P11229 4/20 0.39
CHRM3 P20309 4/20 0.39
POLB P06746 5/20 0.36
ALDH1A1 P00352 5/20 0.36
MAPT P10636 4/20 0.36
TDP1 Q9NUW8 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
RECQL P46063 2/20 0.36
ALOX15 P16050 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP2C19 P33261 1/20 0.35
ADORA2B P29275 4/20 0.33
ALOX5 P09917 1/20 0.33
PKM P14618 1/20 0.32

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
SCHEMBL13465080 0.85 CHRM5 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL13465081 0.85 CHRM5 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9980262 0.85 ALDH1A1 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL14985347 0.77 CHRM5 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL15500328 0.77 CHRM5 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL2706043 0.72 POLB (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL13071161 0.67 POLB (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL13381301 0.65 POLB (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL13184997 0.65 ATM (0.33) ATM
SCHEMBL10155038 0.63 PIK3CD (0.38) ATM

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-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 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-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CHRM2 4881/4885CHRM4 4849/4885CHRM5 4859/4885

“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.