SCHEMBL5582748

SCHEMBL5582748

O=C(Nc1ccc2c(c1)CCC(CN1CCOCC1)C2)c1cnc(-c2ccccc2)nc1Cl

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.47
MCHR1 Q99705 8/20 0.46
ITGB3 P05106 2/20 0.44
ITGA2B P08514 2/20 0.44
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
WNT3A P56704 2/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL5582629 0.88 MCHR1 (0.52) MCHR1ITGB3ITGA2BHTTWNT3A
SCHEMBL5582558 0.78 MCHR1 (0.66) MCHR1ITGB3ITGA2BLMNAMEN1
SCHEMBL7255512 0.78 DGAT1 (0.57) DGAT1MCHR1ITGB3ITGA2BLMNA
SCHEMBL5582750 0.75 MCHR1 (0.66) MCHR1ITGB3ITGA2BSMN1; SMN2L3MBTL1
SCHEMBL5583048 0.74 MCHR1 (0.69) DGAT1MCHR1ITGB3ITGA2BHTT
SCHEMBL5582768 0.73 MCHR1 (0.68) MCHR1ITGB3ITGA2B
SCHEMBL7254619 0.73 MCHR1 (0.66) DGAT1MCHR1ITGB3ITGA2BALDH1A1
SCHEMBL5582948 0.71 MCHR1 (0.57) MCHR1MEN1KMT2ASMN1; SMN2
SCHEMBL5582736 0.71 MCHR1 (0.46) DGAT1MCHR1
SCHEMBL5582632 0.70 MCHR1 (0.69) MCHR1ITGB3ITGA2B

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 DGAT1 4231/4885MCHR1 2/4885ITGB3 4150/4885

“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.