SCHEMBL5639367

SCHEMBL5639367

COC(=O)n1c(CBr)cc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
OXER1 Q8TDS5 8/20 0.41
NR1H2 P55055 2/20 0.39
NOD2 Q9HC29 1/20 0.39
NOD1 Q9Y239 1/20 0.39
POLB P06746 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38

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
SCHEMBL5519418 0.84 NR1H2 (0.56) NR1H2
SCHEMBL4792786 0.84 MAPT (0.44) L3MBTL1NPC1RAB9AOXER1NR1H2
SCHEMBL17075022 0.80 L3MBTL1 (0.47) L3MBTL1NR1H2NOD2NOD1POLB
SCHEMBL28615203 0.76 L3MBTL1 (0.47) L3MBTL1NR1H2NOD2NOD1MTNR1A
SCHEMBL6988070 0.75 MTNR1A (0.51) L3MBTL1NOD2NOD1MTNR1AMTNR1B
SCHEMBL6988076 0.75 MCL1 (0.58) L3MBTL1NPC1RAB9ANOD2NOD1
SCHEMBL6706688 0.74 NOD2 (0.51) L3MBTL1OXER1NR1H2NOD2NOD1
SCHEMBL28011916 0.73 NR1H2 (0.54) NR1H2
SCHEMBL28455040 0.72 NOD2 (0.47) L3MBTL1OXER1NR1H2NOD2NOD1
SCHEMBL27700921 0.71 OXER1 (0.39) NPC1RAB9AOXER1NR1H2NOD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7229987-B2 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes ELI LILLY AND COMPANY (US) 2007-06-12 US disclosed
US-20050272718-A1 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes AMMENN ET AL, JOCHEN 2005-12-08 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-20050272718-A1 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes MC1R, MC4R, MC5R L3MBTL1 2576/4885NPC1 457/4885RAB9A 1063/4885

“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.