SCHEMBL5582823

SCHEMBL5582823

CC(=O)Nc1ccc2c(c1)CCC(CC(=O)O)C2=O

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.66
ITGA2B P08514 13/20 0.66
DGAT1 O75907 1/20 0.64
BAZ2B Q9UIF8 1/20 0.53
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
MTNR1A P48039 1/20 0.49
CYP26A1 O43174 1/20 0.45

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
SCHEMBL10341502 0.89 ITGB3 (0.59) ITGB3ITGA2BDGAT1BAZ2BNPC1
Phenethylamine SCHEMBL10944850 0.89 DGAT1 (0.57) ITGB3ITGA2BDGAT1BAZ2BNPC1
SCHEMBL10752862 0.89 DGAT1 (0.57) ITGB3ITGA2BDGAT1BAZ2BNPC1
SCHEMBL10752873 0.89 DGAT1 (0.57) ITGB3ITGA2BDGAT1BAZ2BNPC1
SCHEMBL14454770 0.88 ITGB3 (0.53) ITGB3ITGA2BDGAT1BAZ2BNPC1
SCHEMBL10750981 0.87 ITGB3 (0.51) ITGB3ITGA2BDGAT1BAZ2BNPC1
SCHEMBL5582711 0.84 BAZ2B (0.52) ITGB3ITGA2BDGAT1BAZ2BNPC1
SCHEMBL10341504 0.83 BAZ2B (0.51) ITGB3ITGA2BDGAT1BAZ2BNPC1
SCHEMBL5582919 0.81 BAZ2B (0.52) ITGB3ITGA2BBAZ2BNPC1RAB9A
SCHEMBL7220756 0.81 MTNR1A (0.69) ITGB3ITGA2BDGAT1MTNR1A

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-20070173498-A1 Melanin concentrating hormone antagonist KATO KANEYOSHI 2007-07-26 US disclosed
US-20070173498-A1 Melanin concentrating hormone antagonist KATO KANEYOSHI 2007-07-26 US disclosed
US-20070173498-A1 Melanin concentrating hormone antagonist KATO KANEYOSHI 2007-07-26 US disclosed
US-7115750-B1 Melanin concentrating hormone antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-10-03 US disclosed
EP-1218336-A2 MELANIN CONCENTRATING HORMONE ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2002-07-03 EP disclosed
WO-2001021577-A2 MELANIN CONCENTRATING HORMONE ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-03-29 WO disclosed
US-4692447-A HYPOTENSIVE, VASODILATOR, ANTITHROMBOTIC, ANTIAGGREGANT, CYTOPROTECTIVE BOEHRINGER BIOCHEMIA ROBIN, S.P.A. (IT) 1987-09-08 US disclosed
EP-0169443-A2 Tricyclic dihydropyridazinones and pharmaceutical compositions contaning them BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1986-01-29 EP 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-20070173498-A1 Melanin concentrating hormone antagonist MC1R, MCHR1, MCHR2 ITGB3 4150/4885ITGA2B 4209/4885DGAT1 4231/4885

“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.