SCHEMBL4958597

SCHEMBL4958597

CCOC(=O)/C(=C/NC1CCCCC1)C(=O)c1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.44
▸ USP2 O75604 1/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ CHRM5 P08912 1/20 0.43
▸ CHRM3 P20309 1/20 0.43
▸ GAA P10253 4/20 0.43
▸ TDP1 Q9NUW8 3/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ LMNA P02545 2/20 0.43
▸ RAB9A P51151 3/20 0.42
▸ CHRM1 P11229 1/20 0.41
▸ TSHR P16473 2/20 0.41
▸ DHODH Q02127 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ HSD17B10 Q99714 2/20 0.39
▸ ALDH1A1 P00352 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
SCHEMBL4958601 1.00 MAPT (0.44) MAPTUSP2CHRM2CHRM5CHRM3
SCHEMBL10375594 0.94 USP2 (0.46) MAPTUSP2CHRM2CHRM5CHRM3
SCHEMBL7955350 0.85 CYP2C19 (0.47) MAPTGAALMNARAB9ANPC1
SCHEMBL7121246 0.85 NPC1 (0.41) MAPTGAATDP1LMNARAB9A
SCHEMBL7121244 0.85 NPC1 (0.41) MAPTGAATDP1LMNARAB9A
SCHEMBL7955352 0.85 CYP2C19 (0.47) MAPTGAALMNARAB9ANPC1
SCHEMBL7960142 0.84 CYP2C19 (0.47) MAPTGAATDP1LMNARAB9A
SCHEMBL7960136 0.84 CYP2C19 (0.47) MAPTGAATDP1LMNARAB9A
SCHEMBL7960153 0.82 CYP2C19 (0.48) MAPTGAALMNARAB9AMEN1
SCHEMBL7960151 0.82 CYP2C19 (0.48) MAPTGAALMNARAB9AMEN1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064748-A1 Substituted enaminones, their derivatives and uses thereof OXFORD FINANCE CORPORATION 2008-03-13 — — US claimed
JP-2007536262-A — — 2007-12-13 — — JP claimed
EP-1742904-A4 SUBSTITUTED ENAMINONES, THEIR DERIVATIVES AND USES THEREOF UNIV CALIFORNIA (US) 2007-04-18 — — EP claimed
EP-1742904-A2 SUBSTITUTED ENAMINONES, THEIR DERIVATIVES AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-01-17 — — EP claimed
WO-2005108347-A2 SUBSTITUTED ENAMINONES, THEIR DERIVATIVES AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-11-17 — — WO claimed
EP-1742904-A4 SUBSTITUTED ENAMINONES, THEIR DERIVATIVES AND USES THEREOF UNIV CALIFORNIA (US) 2007-04-18 — — EP disclosed
EP-1742904-A2 SUBSTITUTED ENAMINONES, THEIR DERIVATIVES AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-01-17 — — EP disclosed
WO-2005108347-A2 SUBSTITUTED ENAMINONES, THEIR DERIVATIVES AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-11-17 — — WO 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 (1 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-20080064748-A1 Substituted enaminones, their derivatives and uses thereof GABRB2, GABRB1, GABRB3 MAPT 1159/4885USP2 3623/4885CHRM2 726/4885

“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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