SCHEMBL5582490

SCHEMBL5582490

CN(C)CC1COc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2O1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.54
NPC1 O15118 6/20 0.50
RAB9A P51151 6/20 0.50
NPSR1 Q6W5P4 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALOX5 P09917 1/20 0.46
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL5582991 0.91 NPC1 (0.56) MCHR1NPC1RAB9ANPSR1MEN1
SCHEMBL5582804 0.87 NPC1 (0.56) MCHR1NPC1RAB9ANPSR1MEN1
SCHEMBL5582691 0.80 MCHR1 (0.46) MCHR1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL6921997 0.80 HTR1D (0.62) RAB9ANPSR1MEN1KMT2AMAPT
SCHEMBL6925180 0.76 HTR1D (0.62) RAB9ANPSR1MEN1KMT2AMAPT
SCHEMBL5174923 0.76 NPC1 (0.84) NPC1RAB9ANPSR1MEN1KMT2A
SCHEMBL31378853 0.76 RORC (0.52) NPC1RAB9AALOX5CYP1A2CYP3A4
SCHEMBL5582936 0.73 MCHR1 (0.53) MCHR1NPC1RAB9A
SCHEMBL5583036 0.72 MCHR1 (0.69) MCHR1NPC1RAB9A
SCHEMBL29580074 0.70 CA2 (0.66) MEN1KMT2ASMN1; SMN2ALOX5ALDH1A1

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 2/4885NPC1 1085/4885RAB9A 1813/4885

“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.