SCHEMBL2348802

SCHEMBL2348802

CCOC(=O)[C@H]1CC[C@@H](c2ccc(F)c(F)c2)N1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
KCNH2 Q12809 11/20 0.43
SCN3A Q9NY46 7/20 0.43
SCN1A P35498 1/20 0.41
SCN4A P35499 1/20 0.41
SCN7A Q01118 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN9A Q15858 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN8A Q9UQD0 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2B6 P20813 1/20 0.41
MAOB P27338 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 2/20 0.39
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL28527166 0.89 L3MBTL1 (0.49) ALDH1A1KCNH2SCN3ASCN1ASCN4A
SCHEMBL2347960 0.87 KCNH2 (0.38) ALDH1A1KCNH2SCN3ASCN1ASCN4A
SCHEMBL2350627 0.85 KCNH2 (0.56) ALDH1A1KCNH2SCN3ASCN1ASCN4A
SCHEMBL31047117 0.85 KCNH2 (0.46) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL28789031 0.85 KCNH2 (0.46) KCNH2SCN3ASCN1ASCN4ASCN7A
SCHEMBL3585037 0.85 KCNH2 (0.56) ALDH1A1KCNH2SCN3ASCN1ASCN4A
SCHEMBL3585032 0.85 KCNH2 (0.56) ALDH1A1KCNH2SCN3ASCN1ASCN4A
SCHEMBL4637528 0.85 KCNH2 (0.56) ALDH1A1KCNH2SCN3ASCN1ASCN4A
SCHEMBL4637526 0.85 KCNH2 (0.56) ALDH1A1KCNH2SCN3ASCN1ASCN4A
SCHEMBL2036282 0.85 KCNH2 (0.46) KCNH2SCN3ASCN1ASCN4ASCN7A

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
WO-2019112024-A1 PYRROLIDINE COMPOUND キッセイ薬品工業株式会社 2019-06-13 WO disclosed
EP-2125829-B1 BICYCLIC OXOMORPHOLINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2013-01-16 EP disclosed
US-8008293-B2 Bicyclic oxomorpholine derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-08-30 US disclosed
US-20100113773-A1 BICYCLIC OXOMORPHOLINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-05-06 US disclosed
EP-2125829-A2 BICYCLIC OXOMORPHOLINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2009-12-02 EP disclosed
WO-2008108378-A2 BICYCLIC OXOMORPHOLINE DERIVATIVE EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-12 WO disclosed
US-20080207900-A1 TWO CYCLIC OXOMORPHORIN DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-08-28 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-20080207900-A1 TWO CYCLIC OXOMORPHORIN DERIVATIVES OPRM1, OPRK1, OPRD1 ALDH1A1 2062/4885KCNH2 1129/4885SCN3A 278/4885
US-20100113773-A1 BICYCLIC OXOMORPHOLINE DERIVATIVE OPRM1, OPRK1, OPRD1 ALDH1A1 1360/4885KCNH2 423/4885SCN3A 279/4885

“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.