SCHEMBL2171307

SCHEMBL2171307

COc1cc(N)ccc1OCC(O)C1CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.53
MAPT P10636 3/20 0.53
KDM4E B2RXH2 3/20 0.53
MCHR1 Q99705 10/20 0.51
ALDH1A1 P00352 5/20 0.49
HTT P42858 2/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39
CYP19A1 P11511 1/20 0.39
PKM P14618 1/20 0.38

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
SCHEMBL1578547 1.00 GAA (0.53) GAAMAPTKDM4EMCHR1ALDH1A1
SCHEMBL1722545 0.83 MCHR1 (0.48) GAAMAPTKDM4EMCHR1ALDH1A1
SCHEMBL3344997 0.81 MAPK1 (0.60) MCHR1TSHRMAPK1MEN1KMT2A
SCHEMBL1531317 0.80 GAA (0.60) GAAMAPTKDM4EALDH1A1HTT
SCHEMBL1531318 0.80 GAA (0.60) GAAMAPTKDM4EALDH1A1HTT
SCHEMBL12144355 0.78 GAA (0.57) GAAMAPTKDM4EALDH1A1HTT
SCHEMBL1578485 0.78 MCHR1 (0.47) MAPTMCHR1ALDH1A1HTTLMNA
SCHEMBL1578564 0.78 MCHR1 (0.47) MAPTMCHR1ALDH1A1HTTLMNA
SCHEMBL10187288 0.77 ALDH1A1 (0.80) GAAMAPTKDM4EALDH1A1HTT
SCHEMBL12309985 0.76 GAA (0.42) GAAMAPTKDM4EMCHR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346872-B1 AZOLOTRIAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2015-11-25 EP disclosed
US-8754211-B2 Azolotriazinone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-06-17 US disclosed
US-20140031337-A1 AZOLOTRIAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-30 US disclosed
US-8580959-B2 Azolotriazinone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-11-12 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-8067420-B2 Substituted pyrazinone melanin concentrating hormone receptor-1 antagonists and methods BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-29 US disclosed
US-20110218185-A1 AZOLOTRIAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS SYNGENE INTERNATIONAL LIMITED (IN) 2011-09-08 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
EP-2346872-A1 AZOLOTRIAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS Bristol-Myers Squibb Company (US) 2011-07-27 EP 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
WO-2010042682-A1 AZOLOTRIAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-15 WO 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 (5 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 GAA 1730/4885MAPT 2398/4885KDM4E 2326/4885
US-20110003759-A1 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS MCHR1, MCHR2, MC1R GAA 829/4885MAPT 2461/4885KDM4E 2070/4885
US-20090011994-A1 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS MCHR1, MCHR2, MC1R GAA 829/4885MAPT 2461/4885KDM4E 2070/4885
US-20140031337-A1 AZOLOTRIAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MCHR2, MC1R GAA 1434/4885MAPT 2645/4885KDM4E 1476/4885
US-20110218185-A1 AZOLOTRIAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MCHR2, MC1R GAA 1434/4885MAPT 2645/4885KDM4E 1476/4885

“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.