SCHEMBL2494479

SCHEMBL2494479

COc1cccc(OCC(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.53
LMNA P02545 1/20 0.51
MAPK1 P28482 2/20 0.50
MAPT P10636 2/20 0.50
ALDH1A1 P00352 1/20 0.50
APP P05067 1/20 0.49
TSHR P16473 1/20 0.49
CYP3A4 P08684 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48
ATM Q13315 1/20 0.48
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ACHE P22303 1/20 0.45
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
GPR3 P46089 1/20 0.45
KDM4E B2RXH2 1/20 0.45
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44

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
SCHEMBL2496247 0.90 LMNA (0.47) MAOBLMNAMAPK1MAPTALDH1A1
SCHEMBL10972329 0.90 MAPT (0.59) LMNAMAPK1MAPTALDH1A1TSHR
SCHEMBL24305918 0.85 MAPK1 (0.55) LMNAMAPK1MAPTALDH1A1TSHR
Anisole SCHEMBL27928792 0.82 CA4 (0.56) MAOBLMNAMAPTALDH1A1TSHR
SCHEMBL9111852 0.82 MAOB (0.55) MAOBLMNAMAPK1MAPTALDH1A1
SCHEMBL15257777 0.82 MAOB (0.47) MAOBLMNAMAPK1ALDH1A1APP
SCHEMBL6846146 0.81 MAPK1 (0.50) MAOBLMNAMAPK1APPTSHR
SCHEMBL3923640 0.81 MAPT (0.50) LMNAMAPK1MAPTALDH1A1TSHR
SCHEMBL4348572 0.81 ACHE (0.50) MAOBMAPTALDH1A1CYP3A4HPGD
SCHEMBL17108207 0.80 ALDH1A1 (0.48) LMNAMAPTALDH1A1CYP2C19NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020223136-A1 SPIROPIPERIDINE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME CORP. (US) 2020-11-05 WO disclosed
US-20170233377-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-08-17 US disclosed
US-9676757-B2 Heterocyclic compounds as NaV channel inhibitors and uses thereof MERCK PATENT GMBH (DE) 2017-06-13 US disclosed
US-20150266862-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2015-09-24 US disclosed
US-8030499-B2 1,3-dihydro-2H-indole-2-one compound and pyrrolidine-2-one compound fused with aromatic heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-10-04 US disclosed
US-20080318923-A1 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-25 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 (3 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-20170233377-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF CACNA1B, CACNG6, SCN5A MAOB 1817/4885LMNA 968/4885MAPK1 1419/4885
US-20150266862-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF CACNA1B, CACNG6, SCN5A MAOB 1817/4885LMNA 968/4885MAPK1 1419/4885
US-20080318923-A1 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle AVPR1B, AVPR1A, AVPR2 MAOB 212/4885LMNA 3349/4885MAPK1 1763/4885

“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.