SCHEMBL3308243

SCHEMBL3308243

O=C(O)CN1C(=O)CCc2cc(-c3cccc(OC(F)(F)F)c3)ccc21

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
RIPK1 Q13546 2/20 0.48
CYP11B1 P15538 3/20 0.48
CYP11B2 P19099 3/20 0.48
SLC13A5 Q86YT5 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
DHODH Q02127 5/20 0.44
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
RORC P51449 1/20 0.43
CYP1A2 P05177 1/20 0.43
USP30 Q70CQ3 1/20 0.42
MME P08473 1/20 0.41
OTUD7B Q6GQQ9 1/20 0.41
CHRM5 P08912 1/20 0.41

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
SCHEMBL3308443 0.90 MAPT (0.59) MAPTRIPK1CYP11B1CYP11B2SLC13A5
SCHEMBL3306622 0.84 CYP11B1 (0.46) MAPTCYP11B1CYP11B2SLC13A5HRH3
SCHEMBL3308922 0.82 CYP11B1 (0.47) CYP11B1CYP11B2HRH3CYP1A2
SCHEMBL3306023 0.81 MEN1 (0.45) MAPTCYP11B1CYP11B2FFAR1FFAR4
SCHEMBL3306413 0.81 KIF11 (0.44) MAPTCYP11B1CYP11B2HRH3CYP1A2
SCHEMBL3309131 0.81 MAPT (0.58) MAPTRIPK1CYP11B1CYP11B2HRH3
SCHEMBL12674687 0.80 MAPT (0.48) MAPTHRH3DHODHFFAR1FFAR4
SCHEMBL3307032 0.80 CYP11B1 (0.47) CYP11B1CYP11B2CYP1A2USP30
SCHEMBL3309801 0.78 CYP11B1 (0.44) MAPTCYP11B1CYP11B2CYP1A2
SCHEMBL3310060 0.77 CYP11B1 (0.44) MAPTCYP11B1CYP11B2HRH3CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8952007-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-02-10 US claimed
US-20130096122-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2013-04-18 US claimed
US-20100113514-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-06 US claimed
US-8952007-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-02-10 US disclosed
US-8664379-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2014-03-04 US disclosed
US-20130096122-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2013-04-18 US disclosed
US-20100113514-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-06 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 (2 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-20100113514-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, KCNH3 MAPT 3423/4885RIPK1 1080/4885CYP11B1 1655/4885
US-20130096122-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, CACNA1E MAPT 3659/4885RIPK1 1310/4885CYP11B1 1355/4885

“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.