SCHEMBL4188747

SCHEMBL4188747

COc1cc(Br)ccc1NC(=O)CN1CCCC1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.68
MEN1 O00255 4/20 0.68
NPC1 O15118 2/20 0.68
ALDH1A1 P00352 5/20 0.67
MAPT P10636 4/20 0.64
LMNA P02545 3/20 0.64
TSHR P16473 2/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
RAD52 P43351 1/20 0.62
GFER P55789 1/20 0.62
THRB P10828 1/20 0.62
RAB9A P51151 2/20 0.60
PKM P14618 1/20 0.60
MAPK1 P28482 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
HTT P42858 1/20 0.59
HPGD P15428 1/20 0.58
KCNT1 Q5JUK3 1/20 0.58

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
SCHEMBL13102353 0.86 LMNA (0.72) KMT2AMEN1NPC1ALDH1A1MAPT
SCHEMBL4186740 0.85 RAD52 (0.81) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL4213802 0.82 ALDH1A1 (0.65) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL1644836 0.81 ALDH1A1 (0.97) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL4194331 0.81 ALDH1A1 (1.00) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL1646961 0.80 ALDH1A1 (1.00) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL21217705 0.79 HTT (0.72) KMT2AMEN1ALDH1A1MAPTL3MBTL1
SCHEMBL13803997 0.79 ALDH1A1 (0.61) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL4193257 0.78 ALDH1A1 (0.55) KMT2AMEN1NPC1ALDH1A1MAPT
SCHEMBL18496233 0.76 ALDH1A1 (0.52) KMT2AMEN1ALDH1A1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120302547-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2012-11-29 US disclosed
US-8263772-B2 MCH receptor antagonists ELI LILLY AND COMPANY (US) 2012-09-11 US disclosed
US-20090093456-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-04-09 US disclosed
EP-2029609-A2 NOVEL MCH RECEPTOR ANTAGONISTS Eli Lilly & Company (US) 2009-03-04 EP disclosed
WO-2007146758-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-12-21 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 (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-20120302547-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R KMT2A 997/4885MEN1 545/4885NPC1 1195/4885
US-20090093456-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R KMT2A 999/4885MEN1 606/4885NPC1 1178/4885

“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.