SCHEMBL5582916

SCHEMBL5582916

COc1ccc(-c2ccc(C(=O)Nc3ccc4c(c3)OCC(CN3CCCC3)=C4)cn2)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 15/20 0.64
HTR2C P28335 5/20 0.64
WNT3A P56704 2/20 0.46
ALDH1A1 P00352 1/20 0.46
ROCK2 O75116 1/20 0.46
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
PKM P14618 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL5586477 0.90 MCHR1 (0.81) MCHR1HTR2CWNT3AROCK2
SCHEMBL5583081 0.85 MCHR1 (0.82) MCHR1HTR2CALDH1A1
SCHEMBL5582966 0.83 MCHR1 (0.62) MCHR1HTR2CWNT3AALDH1A1ROCK2
SCHEMBL5582813 0.80 MCHR1 (0.85) MCHR1HTR2CALDH1A1TP53RAB9A
SCHEMBL5582715 0.80 MCHR1 (0.73) MCHR1HTR2CWNT3AALDH1A1NPC1
SCHEMBL2926587 0.80 MCHR1 (0.84) MCHR1HTR2CALDH1A1NPC1RAB9A
SCHEMBL2926947 0.79 MCHR1 (0.82) MCHR1HTR2CALDH1A1NPC1RAB9A
SCHEMBL2927421 0.77 MCHR1 (0.76) MCHR1HTR2CWNT3AALDH1A1NPC1
SCHEMBL5645871 0.77 MCHR1 (1.00) MCHR1HTR2CALDH1A1
SCHEMBL2926985 0.76 MCHR1 (0.75) MCHR1HTR2CALDH1A1NPC1RAB9A

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 2/4885HTR2C 195/4885WNT3A 1824/4885

“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.