SCHEMBL12144302

SCHEMBL12144302

CCc1cc(N)ccc1OCC(C)(C)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MAPK1 P28482 2/20 0.41
VDR P11473 2/20 0.40
GAA P10253 4/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
MCHR1 Q99705 7/20 0.37
PRKCI P41743 1/20 0.37

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
SCHEMBL25932633 0.82 CYP2C9 (0.45) HDAC3HDAC6MAPK1VDRGAA
SCHEMBL13724733 0.81 GAA (0.58) HDAC3HDAC6MAPK1VDRGAA
SCHEMBL12144678 0.81 PTGDR2 (0.45) HDAC3HDAC6VDRGAAMAPT
SCHEMBL2226575 0.80 AAK1 (0.40) HDAC3HDAC6VDRGAAMAPT
SCHEMBL942491 0.80 VDR (0.51) HDAC3HDAC6VDRALDH1A1MCHR1
SCHEMBL5952401 0.79 MAPT (0.59) MAPK1GAAMAPTKDM4EALDH1A1
SCHEMBL22493078 0.79 GAA (0.46) MAPK1GAAMAPTKDM4EALDH1A1
SCHEMBL1144185 0.79 GAA (0.60) MAPK1GAAMAPTKDM4EALDH1A1
SCHEMBL17811818 0.78 VDR (0.41) HDAC3HDAC6VDRGAAALDH1A1
SCHEMBL11709568 0.77 GAA (0.49) MAPK1GAAMAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067420-B2 Substituted pyrazinone melanin concentrating hormone receptor-1 antagonists and methods BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-29 US disclosed
US-8067420-B2 Substituted pyrazinone melanin concentrating hormone receptor-1 antagonists and methods BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-29 US disclosed
US-8012984-B2 Substituted pyrazinone melanin concentrating hormone receptor-1 antagonists and methods BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-06 US disclosed
US-8012984-B2 Substituted pyrazinone melanin concentrating hormone receptor-1 antagonists and methods BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-06 US disclosed
US-20110144060-A1 SUBSTITUTED PYRAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS BRISTOL-MYERS SQUIBB COMPANY 2011-06-16 US disclosed
US-20110144060-A1 SUBSTITUTED PYRAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS BRISTOL-MYERS SQUIBB COMPANY 2011-06-16 US disclosed
US-20110003759-A1 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS BRISTOL-MYERS SQUIBB COMPANY 2011-01-06 US disclosed
US-20110003759-A1 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS BRISTOL-MYERS SQUIBB COMPANY 2011-01-06 US disclosed
US-20090011994-A1 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS BRISTOL-MYERS SQUIBB COMPANY 2009-01-08 US disclosed
US-20090011994-A1 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS BRISTOL-MYERS SQUIBB COMPANY 2009-01-08 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-20110144060-A1 SUBSTITUTED PYRAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS MCHR1, MC1R, MCHR2 HDAC3 891/4885HDAC6 2761/4885MAPK1 1188/4885
US-20110003759-A1 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS MCHR1, MCHR2, MC1R HDAC3 1206/4885HDAC6 3118/4885MAPK1 1146/4885
US-20090011994-A1 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS MCHR1, MCHR2, MC1R HDAC3 1206/4885HDAC6 3118/4885MAPK1 1146/4885

“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.