SCHEMBL14985347

SCHEMBL14985347

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 10/20 0.46
CHRM3 P20309 10/20 0.46
CHRM2 P08172 9/20 0.46
CHRM4 P08173 9/20 0.46
CHRM1 P11229 9/20 0.46
POLB P06746 3/20 0.42
MAPT P10636 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RECQL P46063 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CYP2C19 P33261 1/20 0.34
HPGD P15428 1/20 0.34
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL15500328 1.00 CHRM5 (0.46) CHRM5CHRM3CHRM2CHRM4CHRM1
SCHEMBL13465081 0.82 CHRM5 (0.43) CHRM5CHRM3CHRM2CHRM4CHRM1
SCHEMBL13465080 0.82 CHRM5 (0.43) CHRM5CHRM3CHRM2CHRM4CHRM1
SCHEMBL13071161 0.81 POLB (0.41) CHRM5CHRM3CHRM2CHRM4CHRM1
SCHEMBL2756809 0.77 CHRM2 (0.39) CHRM5CHRM3CHRM2CHRM4CHRM1
SCHEMBL15443596 0.71 OPRL1 (0.36)
SCHEMBL17327139 0.71 OPRL1 (0.36)
SCHEMBL14877490 0.71 BRD4 (0.46)
SCHEMBL7736890 0.71 BRD4 (0.46)
SCHEMBL13481229 0.71 BRD4 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3309157-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-04-18 EP disclosed
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 US disclosed
US-9511056-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2016-12-06 US disclosed
US-8841278-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-23 US disclosed
US-20140249074-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2014-09-04 US disclosed
US-8822430-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-02 US disclosed
US-8669234-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-03-11 US disclosed
US-20140039021-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-06 US disclosed
US-8575118-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-11-05 US disclosed
US-20130137877-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-05-30 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 (4 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-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CHRM5 4859/4885CHRM3 4838/4885CHRM2 4881/4885
US-20130137877-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CHRM5 4859/4885CHRM3 4838/4885CHRM2 4881/4885
US-20140039021-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CHRM5 4859/4885CHRM3 4838/4885CHRM2 4881/4885
US-20140249074-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CHRM5 4859/4885CHRM3 4838/4885CHRM2 4881/4885

“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.