SCHEMBL12043552

SCHEMBL12043552

COc1cc(-n2ncc(C#Cc3cccc(Cl)c3)cc2=O)ccc1OCC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.43
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
GRM5 P41594 3/20 0.37
NPBWR1 P48145 1/20 0.37
CYP2C9 P11712 1/20 0.36
PTGDR2 Q9Y5Y4 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
SCHEMBL12043148 0.93 MCHR1 (0.51) MCHR1
SCHEMBL12043550 0.90 MCHR1 (0.43) MCHR1
SCHEMBL12043528 0.90 PDGFRB (0.41) MCHR1MAPT
SCHEMBL12043556 0.89 MCHR1 (0.38) MCHR1GRM5NPBWR1
SCHEMBL12043551 0.85 ALDH1A1 (0.42) MCHR1NPBWR1
SCHEMBL12043145 0.83 MCHR1 (0.52) MCHR1
SCHEMBL12043133 0.83 MCHR1 (0.49) MCHR1
SCHEMBL12043151 0.81 MCHR1 (0.47) MCHR1
SCHEMBL15382332 0.79 GRM5 (0.35) MCHR1LMNAMAPTTP53GRM5
SCHEMBL12059470 0.79 MCHR1 (0.53) MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8278316-B2 Aza pyridone analogs useful as melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-02 US disclosed
US-20110319439-A1 AZA PYRIDONE ANALOGS USEFUL AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-12-29 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 (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-20110319439-A1 AZA PYRIDONE ANALOGS USEFUL AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MCHR2, MC1R MCHR1 1/4885LMNA 4448/4885MAPT 2912/4885

“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.