SCHEMBL5582533

SCHEMBL5582533

CN(C)CC1=Cc2ccc(NC(=O)N3CCC(c4ccc(F)cc4)CC3)cc2CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.50
NAMPT P43490 6/20 0.50
NPC1 O15118 2/20 0.50
MAPT P10636 2/20 0.50
RAB9A P51151 1/20 0.50
HTR2C P28335 1/20 0.48
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
TP53 P04637 1/20 0.42

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
SCHEMBL5582954 0.91 MAPT (0.53) MCHR1NAMPTNPC1MAPTRAB9A
SCHEMBL14454802 0.87 MCHR1 (0.65) MCHR1NAMPTNPC1MAPTRAB9A
SCHEMBL5582640 0.86 MCHR1 (0.64) MCHR1NAMPTNPC1MAPTRAB9A
SCHEMBL5582566 0.80 MCHR1 (0.65) MCHR1NPC1MAPTRAB9AHTR2C
SCHEMBL5582876 0.79 MCHR1 (0.57) MCHR1NAMPTNPC1MAPTRAB9A
SCHEMBL5582738 0.79 MCHR1 (0.64) MCHR1NPC1MAPTRAB9AHTR2C
SCHEMBL5582857 0.79 MCHR1 (0.67) MCHR1HTR2C
SCHEMBL5582717 0.78 MCHR1 (0.66) MCHR1NAMPTNPC1MAPTRAB9A
SCHEMBL5582579 0.78 MCHR1 (0.65) MCHR1NAMPTNPC1MAPTRAB9A
SCHEMBL5582844 0.78 MCHR1 (0.67) MCHR1MAPTHTR2C

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115750-B1 Melanin concentrating hormone antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-10-03 US claimed
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 2/4885NAMPT 1308/4885NPC1 1085/4885

“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.