SCHEMBL772532

SCHEMBL772532

[CH2]C(=O)N1CCC(C)(C)CC1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.35
SPR P35270 1/20 0.34
FFAR3 O14843 1/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL28239649 0.79 ALDH1A1 (0.43) EPHX2SPRFFAR3
SCHEMBL15759336 0.77 FFAR3 (0.38) EPHX2SPRFFAR3CYP2D6CYP2C19
SCHEMBL11997948 0.77 EPHX2 (0.53) EPHX2CYP2D6CYP2C19
SCHEMBL772114 0.75 DPP4 (0.36) EPHX2CYP2D6CYP2C19
SCHEMBL23343682 0.75 GAA (0.38) EPHX2SPRFFAR3
SCHEMBL18919932 0.75 SPR (0.38) EPHX2SPRFFAR3CYP2D6CYP2C19
SCHEMBL1197047 0.75 ALDH1A1 (0.43) EPHX2SPRCYP2D6CYP2C19
SCHEMBL23682419 0.75 KMT2A (0.49)
SCHEMBL1196794 0.74
SCHEMBL15451912 0.73 ALDH1A1 (0.56)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9850203-B2 Autotaxin inhibitor compounds PHARMAKEA, INC. (US) 2017-12-26 US disclosed
EP-3049405-A1 AUTOTAXIN INHIBITOR COMPOUNDS Pharmakea Inc. (US) 2016-08-03 EP disclosed
US-20160214935-A1 AUTOTAXIN INHIBITOR COMPOUNDS DF 2024 IP ACQUISITION, LLC 2016-07-28 US disclosed
WO-2015048301-A1 AUTOTAXIN INHIBITOR COMPOUNDS PHARMAKEA, INC. (US) 2015-04-02 WO disclosed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 EP disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 EP disclosed
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2006-07-27 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 EPHX2 2282/4885SPR 1187/4885FFAR3 4580/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 EPHX2 2733/4885SPR 294/4885FFAR3 4796/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 EPHX2 2282/4885SPR 1187/4885FFAR3 4580/4885
US-20160214935-A1 AUTOTAXIN INHIBITOR COMPOUNDS ENPP2, SERPINB1, SERPINE1 EPHX2 3562/4885SPR 974/4885FFAR3 4500/4885

“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.