SCHEMBL5639617

SCHEMBL5639617

COC(=O)c1ccc(-c2nnc(CCCc3ccccc3)o2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.53
MAPT P10636 4/20 0.50
CES1 P23141 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
RAB9A P51151 6/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
NPC1 O15118 4/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
HDAC6 Q9UBN7 1/20 0.48
KDM4E B2RXH2 1/20 0.48
HSD17B10 Q99714 1/20 0.48
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP4A11 Q02928 1/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL14499469 0.98 FAAH (0.55) FAAHMAPTCES1L3MBTL1CA1
SCHEMBL14499480 0.96 FAAH (0.57) FAAHMAPTCES1L3MBTL1CA1
SCHEMBL14499472 0.96 FAAH (0.57) FAAHMAPTCES1L3MBTL1CA1
SCHEMBL14499476 0.96 FAAH (0.57) FAAHMAPTCES1L3MBTL1CA1
SCHEMBL5640994 0.93 CA1 (0.57) FAAHMAPTL3MBTL1CA1CA2
SCHEMBL5638249 0.88 MAPT (0.48) FAAHMAPTL3MBTL1CA1CA2
SCHEMBL14499456 0.88 MAPT (0.48) FAAHMAPTL3MBTL1RAB9ASMN1; SMN2
SCHEMBL5636130 0.88 MAPT (0.51) FAAHMAPTCES1L3MBTL1RAB9A
SCHEMBL5637537 0.87 GSK3B (0.49) FAAHMAPTCES1L3MBTL1RAB9A
SCHEMBL5638547 0.86 HDAC6 (0.64) MAPTL3MBTL1RAB9ASMN1; SMN2NPC1

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-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-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-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 FAAH 772/4885MAPT 2221/4885CES1 680/4885

“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.