SCHEMBL5582558

SCHEMBL5582558

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

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.66
ITGB3 P05106 1/20 0.54
ITGA2B P08514 1/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
MEN1 O00255 1/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
SLC2A1 P11166 1/20 0.52

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
SCHEMBL5582632 0.92 MCHR1 (0.69) MCHR1ITGB3ITGA2BSLC2A1
SCHEMBL5582750 0.91 MCHR1 (0.66) MCHR1ITGB3ITGA2BNPC1RAB9A
SCHEMBL5582713 0.91 MCHR1 (0.68) MCHR1ITGB3ITGA2BMAPTSLC2A1
SCHEMBL5583048 0.83 MCHR1 (0.69) MCHR1ITGB3ITGA2BNPC1RAB9A
SCHEMBL5582768 0.82 MCHR1 (0.68) MCHR1ITGB3ITGA2B
SCHEMBL5582656 0.82 MCHR1 (0.69) MCHR1ITGB3ITGA2BNPC1RAB9A
SCHEMBL5583028 0.81 MCHR1 (0.68) MCHR1ITGB3ITGA2BNPC1RAB9A
SCHEMBL5582629 0.81 MCHR1 (0.52) MCHR1ITGB3ITGA2BHTT
SCHEMBL5582948 0.81 MCHR1 (0.57) MCHR1RAB9AMEN1MAPTKMT2A
SCHEMBL14454779 0.80 MCHR1 (1.00) MCHR1SLC2A1

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-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
EP-1218336-A2 MELANIN CONCENTRATING HORMONE ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2002-07-03 EP disclosed
WO-2001021577-A2 MELANIN CONCENTRATING HORMONE ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-03-29 WO 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.