SCHEMBL9995127

SCHEMBL9995127

COc1cc(-n2ccc(COc3ccc(Cl)cc3)cc2=O)ccc1OCC(C)(C)OC(=O)CNC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.54
KCNH2 Q12809 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
POLB P06746 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTGS2 P35354 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
SCHEMBL15334556 0.89 MCHR1 (0.56) MCHR1KCNH2MRGPRX4
SCHEMBL12040542 0.88 MCHR1 (0.56) MCHR1KCNH2NPC1RAB9AMRGPRX4
Hydrochloric Acid SCHEMBL9995187 0.87 MCHR1 (0.55) MCHR1KCNH2NPC1RAB9AMRGPRX4
SCHEMBL1724471 0.82 MCHR1 (0.73) MCHR1
SCHEMBL12040640 0.80 MCHR1 (0.55) MCHR1KCNH2MRGPRX4
SCHEMBL9989229 0.80 MCHR1 (0.54) MCHR1LMNAMAPTSMN1; SMN2
SCHEMBL12040595 0.80 MCHR1 (0.62) MCHR1KCNH2
SCHEMBL1724058 0.80 MCHR1 (0.62) MCHR1KCNH2
SCHEMBL12040553 0.80 MCHR1 (0.54) MCHR1KCNH2MRGPRX4
SCHEMBL12040545 0.80 MCHR1 (0.57) MCHR1KCNH2TP53

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-8563583-B2 Pyridone analogs useful as melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-10-22 US disclosed
US-20110319449-A1 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-20110319449-A1 PYRIDONE ANALOGS USEFUL AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MCHR2, MC1R MCHR1 1/4885KCNH2 3550/4885NPC1 2530/4885

“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.