SCHEMBL5582579

SCHEMBL5582579

O=C(Nc1ccc2c(c1)CCC(CN1CCCC1)=C2)N1CCC(c2ccc(Cl)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.65
HTR2C P28335 2/20 0.59
TP53 P04637 4/20 0.49
MAPT P10636 4/20 0.49
LMNA P02545 3/20 0.48
NPC1 O15118 1/20 0.48
NFKB1 P19838 1/20 0.48
RAB9A P51151 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NAMPT P43490 1/20 0.47
ALOX5 P09917 1/20 0.43

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
SCHEMBL5582717 0.93 MCHR1 (0.66) MCHR1HTR2CTP53MAPTLMNA
SCHEMBL14454802 0.91 MCHR1 (0.65) MCHR1HTR2CMAPTNPC1RAB9A
SCHEMBL5582566 0.91 MCHR1 (0.65) MCHR1HTR2CTP53MAPTLMNA
SCHEMBL5583917 0.91 MCHR1 (0.63) MCHR1HTR2CTP53MAPTLMNA
SCHEMBL5582640 0.90 MCHR1 (0.64) MCHR1HTR2CMAPTNPC1RAB9A
SCHEMBL5582738 0.90 MCHR1 (0.64) MCHR1HTR2CTP53MAPTLMNA
SCHEMBL5582844 0.89 MCHR1 (0.67) MCHR1HTR2CMAPTSMN1; SMN2
SCHEMBL5582870 0.85 MCHR1 (0.50) MCHR1HTR2CLMNANPC1RAB9A
SCHEMBL5582876 0.85 MCHR1 (0.57) MCHR1HTR2CTP53MAPTLMNA
SCHEMBL5582593 0.83 MCHR1 (0.55) MCHR1HTR2CTP53MAPTLMNA

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-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
EP-1218336-A2 MELANIN CONCENTRATING HORMONE ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2002-07-03 EP disclosed
WO-2001021577-A2 MELANIN CONCENTRATING HORMONE ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-03-29 WO 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 2/4885HTR2C 195/4885TP53 4771/4885

“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.