SCHEMBL5582628

SCHEMBL5582628

O=C(Nc1ccc2c(c1)CCC(CN1CCCCC1)C2)c1ccc(-c2ccc(Cl)cc2)o1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.56
MCHR1 Q99705 2/20 0.51
MAPKAPK2 P49137 3/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
PTPN1 P18031 1/20 0.48
IRAK4 Q9NWZ3 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
TP53 P04637 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL5582713 0.86 MCHR1 (0.68) MCHR1MAPTKDM4EHPGDALDH1A1
SCHEMBL5582632 0.85 MCHR1 (0.69) MCHR1
SCHEMBL5582948 0.80 MCHR1 (0.57) MCHR1MAPTKDM4ERAB9AKMT2A
SCHEMBL5582736 0.79 MCHR1 (0.46) MCHR1MAPTTP53
SCHEMBL5582558 0.79 MCHR1 (0.66) MCHR1MAPTLMNANPC1RAB9A
SCHEMBL5582768 0.77 MCHR1 (0.68) MCHR1
SCHEMBL5583028 0.77 MCHR1 (0.68) MCHR1NPC1RAB9ATP53
SCHEMBL5583048 0.76 MCHR1 (0.69) MCHR1NPC1RAB9ATP53
SCHEMBL5582656 0.75 MCHR1 (0.69) MCHR1NPC1RAB9ATP53
SCHEMBL7258396 0.72 DGAT1 (0.60) MCHR1MAPTKDM4ELMNANPC1

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 KCNH2 2886/4885MCHR1 2/4885MAPKAPK2 3453/4885

“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.