SCHEMBL2201205

SCHEMBL2201205

COc1cc(/C=C2/SC(N3CCN(C)CC3)=NC2=O)ccc1OCCc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.74
GRIN1 Q05586 3/20 0.62
GRIN2B Q13224 3/20 0.62
MAPT P10636 3/20 0.62
POLB P06746 2/20 0.62
HPGD P15428 2/20 0.62
MEN1 O00255 6/20 0.61
KMT2A Q03164 6/20 0.61
ENPP2 Q13822 1/20 0.55
ALDH1A1 P00352 2/20 0.53
THRB P10828 1/20 0.53
GAA P10253 1/20 0.51
GFER P55789 1/20 0.51
PTPN2 P17706 1/20 0.51
PTPN1 P18031 1/20 0.51
ACP1 P24666 1/20 0.51
PPARG P37231 1/20 0.49
PPARD Q03181 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL2201208 1.00 MCHR1 (0.74) MCHR1GRIN1GRIN2BMAPTPOLB
SCHEMBL2200126 0.91 MCHR1 (0.77) MCHR1GRIN1GRIN2BMAPTPOLB
SCHEMBL4147326 0.91 MCHR1 (0.77) MCHR1GRIN1GRIN2BMAPTPOLB
SCHEMBL2200131 0.91 MCHR1 (0.77) MCHR1GRIN1GRIN2BMAPTPOLB
SCHEMBL2202548 0.88 MCHR1 (0.81) MCHR1GRIN1GRIN2BMAPTPOLB
SCHEMBL2202552 0.88 MCHR1 (0.81) MCHR1GRIN1GRIN2BMAPTPOLB
SCHEMBL2200243 0.84 MCHR1 (0.74) MCHR1GRIN1GRIN2BMAPTPOLB
SCHEMBL12510690 0.84 MCHR1 (0.74) MCHR1GRIN1GRIN2BMAPTPOLB
SCHEMBL2198398 0.84 MCHR1 (0.74) MCHR1GRIN1GRIN2BMAPTPOLB
SCHEMBL8268139 0.84 MCHR1 (0.74) MCHR1GRIN1GRIN2BMAPTPOLB

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-20090197870-A1 Pharmaceutical Compositions EXELIXIS, INC. (US) 2009-08-06 US claimed
EP-1805154-A2 PHARMACEUTICAL COMPOSITIONS Exelixis, Inc. (US) 2007-07-11 EP claimed
WO-2006047269-A2 PHARMACEUTICAL COMPOSITIONS EXELIXIS, INC. (US) 2006-05-04 WO claimed
US-7977489-B2 Benzylthiazolone inhibitors of estrogen-related receptors (ERR) EXELIXIS, INC. (US) 2011-07-12 US disclosed
US-7977489-B2 Benzylthiazolone inhibitors of estrogen-related receptors (ERR) EXELIXIS, INC. (US) 2011-07-12 US disclosed
US-20090197870-A1 Pharmaceutical Compositions EXELIXIS, INC. (US) 2009-08-06 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-20090197870-A1 Pharmaceutical Compositions ESRRA, ESRRB, ESR2 MCHR1 523/4885GRIN1 488/4885GRIN2B 668/4885

“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.