SCHEMBL5860833

SCHEMBL5860833

O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1ccc2cn(CCCN3CCCCC3)nc2c1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.75
MCHR2 Q969V1 6/20 0.57
GLA P06280 2/20 0.50
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL5862042 0.99 MCHR1 (0.76) MCHR1MCHR2GLAKDM4ENPC1
SCHEMBL5862060 0.91 MCHR1 (0.67) MCHR1MCHR2ALDH1A1
SCHEMBL5862829 0.90 MCHR1 (0.70) MCHR1MCHR2KDM4ENPC1RAB9A
SCHEMBL5860851 0.87 MCHR1 (0.61) MCHR1MCHR2NPC1HTTRAB9A
SCHEMBL5862093 0.87 MCHR1 (0.79) MCHR1MCHR2
SCHEMBL5862819 0.87 MCHR1 (0.98) MCHR1MCHR2GLAMEN1ALDH1A1
SCHEMBL5862063 0.87 MCHR1 (0.98) MCHR1MCHR2GLAMEN1ALDH1A1
SCHEMBL5861327 0.86 MCHR1 (1.00) MCHR1MCHR2
SCHEMBL5861296 0.85 MCHR1 (0.60) MCHR1MCHR2MEN1KMT2A
SCHEMBL5862796 0.84 MCHR1 (0.59) MCHR1MCHR2MEN1KMT2A

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-7049307-B2 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor ABBOTT LABORATORIES (US) 2006-05-23 US claimed
US-20050187279-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor ABBVIE INC. 2005-08-25 US claimed
US-20050137187-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor ABBOTT LABORATORIES 2005-06-23 US claimed
US-7049307-B2 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor ABBOTT LABORATORIES (US) 2006-05-23 US disclosed
US-20050187279-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor ABBVIE INC. 2005-08-25 US disclosed
US-20050137187-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor ABBOTT LABORATORIES 2005-06-23 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 (2 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-20050137187-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor MCHR1, MCHR2, MC1R MCHR1 1/4885MCHR2 2/4885GLA 2708/4885
US-20050187279-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor MCHR1, MCHR2, MC1R MCHR1 1/4885MCHR2 2/4885GLA 2708/4885

“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.