SCHEMBL4330112

SCHEMBL4330112

O=C(O)N1C(=O)COC[C@@H]1COCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
NR1D1 P20393 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
AGTR2 P50052 2/20 0.38
GRM5 P41594 1/20 0.38
PTPN1 P18031 1/20 0.38
FKBP1A P62942 1/20 0.37
P2RX7 Q99572 1/20 0.37
CTSL P07711 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL4330114 1.00 LMNA (0.41) LMNANR1D1TAAR1AGTR2GRM5
SCHEMBL2347597 0.85 KLK7 (0.41) LMNANR1D1FKBP1A
SCHEMBL2352753 0.85 KLK7 (0.41) LMNANR1D1FKBP1A
SCHEMBL29337766 0.85 KLK7 (0.41) LMNANR1D1FKBP1A
SCHEMBL3408692 0.84 GBA1 (0.39) LMNAAGTR2GRM5CTSLCTSS
SCHEMBL3408814 0.84 GBA1 (0.39) LMNAAGTR2GRM5CTSLCTSS
SCHEMBL4193681 0.82 LMNA (0.43) LMNATAAR1GRM5PTPN1CTSL
SCHEMBL1565020 0.82 LMNA (0.43) LMNATAAR1GRM5PTPN1CTSL
SCHEMBL4193675 0.82 LMNA (0.43) LMNATAAR1GRM5PTPN1CTSL
SCHEMBL20637914 0.81 P2RX7 (0.44) LMNATAAR1GRM5P2RX7MEN1

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 9 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
EP-2125829-A2 BICYCLIC OXOMORPHOLINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2009-12-02 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
WO-2008108378-A2 BICYCLIC OXOMORPHOLINE DERIVATIVE EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-12 WO 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 LMNA 90/4885NR1D1 135/4885TAAR1 2950/4885
US-20070117798-A1 Morpholine type cinnamide compound MLX, XDH, NOX4 LMNA 863/4885NR1D1 261/4885TAAR1 686/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 LMNA 90/4885NR1D1 135/4885TAAR1 2950/4885

“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.