SCHEMBL5582600

SCHEMBL5582600

CC(=O)Nc1ccc2c(c1)C(=O)C(=CN(C)C)CC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
KMT2A Q03164 3/20 0.53
CES2 O00748 1/20 0.47
MAOA P21397 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
BAZ2B Q9UIF8 1/20 0.45
CYP1A2 P05177 1/20 0.43
ADRA2A P08913 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2C P28335 1/20 0.43
SLC6A4 P31645 1/20 0.43
HTR2B P41595 1/20 0.43
KDM4E B2RXH2 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSP90AA1 P07900 1/20 0.40
TLR9 Q9NR96 1/20 0.40

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
SCHEMBL5582666 0.90 NPC1 (0.56) NPC1RAB9AKMT2ACES2MAOA
SCHEMBL30612402 0.90 NPC1 (0.56) NPC1RAB9AKMT2ACES2MAOA
SCHEMBL30612407 0.90 NPC1 (0.56) NPC1RAB9AKMT2ACES2MAOA
SCHEMBL7240944 0.83 NR1I3 (0.43) NPC1RAB9AKMT2ACES2MAPT
SCHEMBL5582874 0.83 KMT2A (0.54) NPC1RAB9AKMT2ACES2MAOA
SCHEMBL5582872 0.83 KMT2A (0.54) NPC1RAB9AKMT2ACES2MAOA
SCHEMBL5582664 0.82 BAZ2B (0.62) NPC1RAB9AKMT2ACES2MAOA
SCHEMBL5582663 0.82 BAZ2B (0.62) NPC1RAB9AKMT2ACES2MAOA
SCHEMBL10369998 0.78 ALDH1A1 (0.45) NPC1RAB9AKMT2ACES2MAOA
SCHEMBL10369997 0.78 ALDH1A1 (0.45) NPC1RAB9AKMT2ACES2MAOA

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-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 NPC1 1085/4885RAB9A 1813/4885KMT2A 1886/4885

“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.