SCHEMBL4510617

SCHEMBL4510617

O=C1CC2CCCC(=O)N2C(c2ccc(Cl)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SRD5A1 P18405 1/20 0.38
LMNA P02545 4/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
ALDH1A1 P00352 1/20 0.37
P2RX7 Q99572 2/20 0.36
MDM2 Q00987 2/20 0.35
PTBP1 P26599 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPK1 P28482 1/20 0.34
TSHR P16473 2/20 0.34
THRB P10828 1/20 0.34
APEX1 P27695 1/20 0.34
PMP22 Q01453 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NOTUM Q6P988 1/20 0.34

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
SCHEMBL4499380 0.87 MEN1 (0.50) MEN1KMT2ANPSR1SRD5A1LMNA
SCHEMBL2583986 0.87 MEN1 (0.50) MEN1KMT2ANPSR1SRD5A1LMNA
SCHEMBL4499379 0.87 MEN1 (0.50) MEN1KMT2ANPSR1SRD5A1LMNA
SCHEMBL4514655 0.86 TSHR (0.42) MEN1KMT2ALMNAHCRTR1HCRTR2
SCHEMBL4511398 0.85 HTT (0.44) MEN1KMT2ANPSR1LMNAALDH1A1
SCHEMBL2579882 0.84 MEN1 (0.50) MEN1KMT2ANPSR1SRD5A1LMNA
SCHEMBL4513877 0.82 L3MBTL1 (0.34) MEN1KMT2AALDH1A1P2RX7MAPK1
SCHEMBL2587857 0.79 MEN1 (0.43) MEN1KMT2ANPSR1SRD5A1LMNA
SCHEMBL21009186 0.79 MDM2 (0.41) MEN1KMT2ANPSR1SRD5A1LMNA
SCHEMBL21008967 0.78 MDM2 (0.40) MEN1KMT2ANPSR1SRD5A1LMNA

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 MEN1 184/4885KMT2A 3271/4885NPSR1 594/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 MEN1 184/4885KMT2A 3271/4885NPSR1 594/4885

“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.