SCHEMBL5582804

SCHEMBL5582804

CN(C)CC1COc2cc(NC(=O)c3ccc(-c4ccc(Cl)cc4)cc3)ccc2O1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.56
RAB9A P51151 8/20 0.56
MCHR1 Q99705 10/20 0.55
SMN1; SMN2 Q16637 4/20 0.48
TSHR P16473 1/20 0.48
MAOB P27338 1/20 0.47
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
KMT2A Q03164 1/20 0.47
RELA Q04206 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
POLB P06746 1/20 0.46
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 2/20 0.45
CYP1A2 P05177 1/20 0.44

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 0.96 NPC1 (0.56) NPC1RAB9AMCHR1SMN1; SMN2TSHR
SCHEMBL5582490 0.87 MCHR1 (0.54) NPC1RAB9AMCHR1SMN1; SMN2MEN1
SCHEMBL5582691 0.83 MCHR1 (0.46) NPC1RAB9AMCHR1SMN1; SMN2MAOB
SCHEMBL5582936 0.82 MCHR1 (0.53) NPC1RAB9AMCHR1
SCHEMBL5583036 0.81 MCHR1 (0.69) NPC1RAB9AMCHR1
SCHEMBL6925180 0.79 HTR1D (0.62) RAB9ASMN1; SMN2TSHRMEN1TP53
SCHEMBL6921997 0.75 HTR1D (0.62) RAB9ASMN1; SMN2TSHRMEN1TP53
SCHEMBL5583097 0.74 MCHR1 (0.84) MCHR1
SCHEMBL5582877 0.73 MCHR1 (0.59) NPC1RAB9AMCHR1SMN1; SMN2MAOB
SCHEMBL5582551 0.73 MCHR1 (0.70) NPC1RAB9AMCHR1SMN1; SMN2MEN1

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 NPC1 1085/4885RAB9A 1813/4885MCHR1 2/4885

“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.