SCHEMBL4501763

SCHEMBL4501763

O=C(O)[C@H]1CCC(c2cccc(Cl)c2)=N1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.44
▸ CHRNB4 P30926 1/20 0.44
▸ CHRNA3 P32297 1/20 0.44
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ PIN1 Q13526 1/20 0.41
▸ PDE4D Q08499 2/20 0.40
▸ KMO O15229 2/20 0.40
▸ VCP P55072 2/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ PGR P06401 1/20 0.40
▸ NOTUM Q6P988 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CNR2 P34972 1/20 0.39

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
SCHEMBL4501768 1.00 KIF11 (0.44) KIF11CHRNB4CHRNA3CA1CA2
SCHEMBL8696040 0.84 CHRNB4 (0.45) KIF11CHRNB4CHRNA3
SCHEMBL9542642 0.82 RAB9A (0.39) CHRNB4CHRNA3CA1CA2NPC1
SCHEMBL14328250 0.82 RAB9A (0.39) CHRNB4CHRNA3CA1CA2NPC1
SCHEMBL20835850 0.82 CHRNB4 (0.44) CHRNB4CHRNA3PIN1KMOVCP
SCHEMBL4505854 0.81 L3MBTL1 (0.43) CA1CA2PDE4DPDE4BPGR
SCHEMBL4505849 0.81 L3MBTL1 (0.43) CA1CA2PDE4DPDE4BPGR
SCHEMBL2586557 0.80 TRPM8 (0.46) KIF11SLC6A3
SCHEMBL20835774 0.80 KMO (0.43) KMO
SCHEMBL20835431 0.78 GRM4 (0.39) PDE4DPDE4B

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 4 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-20090181945-A1 TWO CYCLIC CINNAMIDE COMPOUND KIMURA TEIJI 2009-07-16 — — US disclosed
EP-1953158-A1 BICYCLIC CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2008-08-06 — — EP 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 (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-20090181945-A1 TWO CYCLIC CINNAMIDE COMPOUND APP, BACE1, PSEN1 KIF11 4584/4885CHRNB4 188/4885CHRNA3 136/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 KIF11 4584/4885CHRNB4 188/4885CHRNA3 136/4885

“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.

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