SCHEMBL1929620

SCHEMBL1929620

COc1cc(N)ccc1OCCN(C(=O)O)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 1/20 0.40
PPARA Q07869 1/20 0.40
MCHR1 Q99705 3/20 0.39
FDPS P14324 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 1/20 0.39
ACHE P22303 3/20 0.39
BCHE P06276 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
KDM4C Q9H3R0 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
SCHEMBL29875923 0.76 GAA (0.60) KDM4EGAAMAPTALDH1A1MCHR1
SCHEMBL5275674 0.76 GAA (0.60) KDM4EGAAMAPTALDH1A1MCHR1
SCHEMBL12005826 0.76 GAA (0.44) KDM4EGAAMAPTALDH1A1MCHR1
SCHEMBL18544353 0.76 NFE2L2 (0.56) KDM4EFDPSACHEBCHE
SCHEMBL18544340 0.76 FDPS (0.52) KDM4EALDH1A1FDPSACHEBCHE
SCHEMBL18544352 0.76 NFE2L2 (0.56) KDM4EFDPSACHEBCHE
SCHEMBL18544341 0.76 FDPS (0.52) KDM4EALDH1A1FDPSACHEBCHE
SCHEMBL18544333 0.74 FDPS (0.53) KDM4EFDPSACHEBCHE
SCHEMBL3859527 0.74 GAA (0.61) KDM4EGAAMAPTALDH1A1MCHR1
SCHEMBL1928493 0.74 GAA (0.57) KDM4EGAAMAPTALDH1A1PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7956049-B2 Melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-07 US disclosed
US-20090221548-A1 MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2009-09-03 US disclosed
US-7553836-B2 7-(4-Chlorophenyl)-2-(3-methoxy-4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1(2H)-one trifluoroacetic acid salt; obesity; antidiabetic agents; antidepressants; anxiolytic agents; combination with antipsychotic drugs enhanced therayp for schizophrenic disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-30 US disclosed
EP-1987039-A2 MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS Brystol-Myers Squibb Company (US) 2008-11-05 EP disclosed
WO-2007092416-A2 MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 WO disclosed
US-20070185097-A1 MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2007-08-09 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 (2 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-20090221548-A1 MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MCHR2, MC1R KDM4E 2794/4885GAA 703/4885MAPT 1561/4885
US-20070185097-A1 MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MCHR2, MC1R KDM4E 2794/4885GAA 703/4885MAPT 1561/4885

“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.