SCHEMBL5582750

SCHEMBL5582750

O=C(Nc1ccc2c(c1)CCC(CN1CCOCC1)C2)c1ccc(-c2ccc(F)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.66
ITGB3 P05106 2/20 0.54
ITGA2B P08514 2/20 0.54
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
HTR2C P28335 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TP53 P04637 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
CD274 Q9NZQ7 1/20 0.48

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
SCHEMBL5582656 0.92 MCHR1 (0.69) MCHR1ITGB3ITGA2BNPC1RAB9A
SCHEMBL5582558 0.91 MCHR1 (0.66) MCHR1ITGB3ITGA2BNPC1RAB9A
SCHEMBL5583028 0.91 MCHR1 (0.68) MCHR1ITGB3ITGA2BNPC1RAB9A
SCHEMBL14473031 0.83 MCHR1 (0.77) MCHR1ITGB3ITGA2BNPC1RAB9A
SCHEMBL5583048 0.83 MCHR1 (0.69) MCHR1ITGB3ITGA2BNPC1RAB9A
SCHEMBL5582768 0.82 MCHR1 (0.68) MCHR1ITGB3ITGA2BHTR2C
SCHEMBL5582632 0.82 MCHR1 (0.69) MCHR1ITGB3ITGA2B
SCHEMBL5582713 0.81 MCHR1 (0.68) MCHR1ITGB3ITGA2B
SCHEMBL5582629 0.81 MCHR1 (0.52) MCHR1ITGB3ITGA2B
SCHEMBL2669493 0.80 MCHR1 (1.00) MCHR1ITGB3ITGA2BNPC1RAB9A

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 MCHR1 2/4885ITGB3 4150/4885ITGA2B 4209/4885

“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.