SCHEMBL4333611

SCHEMBL4333611

O=C(O)[C@H]1CCC[C@@H](c2ccc(Cl)cc2)N1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.40
SCN3A Q9NY46 4/20 0.40
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
HTR3A P46098 1/20 0.38
S1PR4 O95977 2/20 0.37
S1PR1 P21453 2/20 0.37
S1PR5 Q9H228 2/20 0.37
S1PR3 Q99500 1/20 0.37
GAA P10253 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DPP4 P27487 1/20 0.36

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
SCHEMBL31289648 0.85 DPP4 (0.47) KCNH2SCN3AGAACYP2C19DPP4
SCHEMBL8870852 0.85 DPP4 (0.47) KCNH2SCN3AGAACYP2C19DPP4
SCHEMBL31289649 0.85 DPP4 (0.47) KCNH2SCN3AGAACYP2C19DPP4
SCHEMBL4089338 0.84 KCNH2 (0.52) KCNH2SCN3AS1PR4S1PR1S1PR5
Hydrochloric Acid SCHEMBL8871065 0.83 DPP4 (0.46) KCNH2SCN3ACYP2C19DPP4
Hydrochloric Acid SCHEMBL31289646 0.83 DPP4 (0.46) KCNH2SCN3ACYP2C19DPP4
SCHEMBL2584119 0.82 SLC6A3 (0.48)
SCHEMBL4497524 0.80 KCNH2 (0.41) KCNH2SCN3A
SCHEMBL28308179 0.75 DPP4 (0.47) KCNH2SCN3ADPP4
SCHEMBL8442870 0.74 KCNH2 (0.41) KCNH2SCN3ARAB9AGAACYP2C19

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
EP-1953158-B1 BICYCLIC CINNAMIDE COMPOUND EISAI R&D MAN CO LTD (JP) 2012-09-12 EP disclosed
US-7618960-B2 Morpholine type cinnamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-17 US disclosed
US-20090181945-A1 TWO CYCLIC CINNAMIDE COMPOUND KIMURA TEIJI 2009-07-16 US disclosed
EP-1953154-A1 MORPHOLINE TYPE CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2008-08-06 EP disclosed
EP-1953158-A1 BICYCLIC CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2008-08-06 EP disclosed
US-20070117798-A1 Morpholine type cinnamide compound EISAI R&D MANAGEMENT CO., LTD. 2007-05-24 US disclosed
US-20070117839-A1 Two cyclic cinnamide compound EISAI R&D MANAGEMENT CO., LTD. 2007-05-24 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-20090181945-A1 TWO CYCLIC CINNAMIDE COMPOUND APP, BACE1, PSEN1 KCNH2 2785/4885SCN3A 1511/4885RAB9A 2810/4885
US-20070117798-A1 Morpholine type cinnamide compound MLX, XDH, NOX4 KCNH2 272/4885SCN3A 1180/4885RAB9A 2729/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 KCNH2 2785/4885SCN3A 1511/4885RAB9A 2810/4885

“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.