SCHEMBL5582758

SCHEMBL5582758

CC1=C(CN2CCCC2)COc2cc(NC(=O)Cc3c(C)nc(-c4ccccc4)[nH]c3=O)ccc21

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TRPV1 Q8NER1 7/20 0.40
ROCK2 O75116 3/20 0.38
ROCK1 Q13464 1/20 0.38
MAPT P10636 4/20 0.38
TP53 P04637 3/20 0.38
ALDH1A1 P00352 1/20 0.37
PDE5A O76074 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL5582742 0.76 MCHR1 (0.57) TRPV1
SCHEMBL7694266 0.73 MAPT (0.43) ROCK2ROCK1MAPTALDH1A1ACHE
SCHEMBL5582955 0.73 MCHR1 (0.58) TRPV1ROCK2
SCHEMBL7694273 0.72 ROCK2 (0.43) TSHRTRPV1ROCK2ROCK1ALDH1A1
SCHEMBL5582592 0.71 ROCK2 (0.56) TSHRTRPV1ROCK2ALDH1A1SMN1; SMN2
SCHEMBL5582731 0.71 MCHR1 (0.55) TSHRHSD17B10KDM4EMAPTTP53
SCHEMBL5583074 0.70 RAB9A (0.53) USP2TSHRMAPK1KDM4ETRPV1
SCHEMBL5582721 0.70 RAB9A (0.55) MAPK1MAPTTP53ALDH1A1SMN1; SMN2
SCHEMBL5582614 0.67 MCHR1 (0.56) KDM4ETRPV1ROCK2MAPTTP53
SCHEMBL5582638 0.67 CYP3A4 (0.53) MAPTTP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070173498-A1 Melanin concentrating hormone antagonist KATO KANEYOSHI 2007-07-26 US disclosed
US-20070173498-A1 Melanin concentrating hormone antagonist KATO KANEYOSHI 2007-07-26 US disclosed
US-20070173498-A1 Melanin concentrating hormone antagonist KATO KANEYOSHI 2007-07-26 US disclosed
US-7115750-B1 Melanin concentrating hormone antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-10-03 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-20070173498-A1 Melanin concentrating hormone antagonist MC1R, MCHR1, MCHR2 USP2 4191/4885TSHR 69/4885MAPK1 1166/4885

“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.