SCHEMBL5637477

SCHEMBL5637477

CN(C)CCCNC(=O)c1ccccc1-c1nnc(CSCCOc2ccccc2)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.40
LIPG Q9Y5X9 1/20 0.40
MAPK1 P28482 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NTSR1 P30989 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NOD2 Q9HC29 1/20 0.38
ALDH1A1 P00352 2/20 0.38
ALOX15 P16050 1/20 0.38
MCHR1 Q99705 1/20 0.38
KDM4E B2RXH2 2/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
METAP2 P50579 1/20 0.37

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
SCHEMBL5638384 0.97 LIPG (0.41) HTTLIPGMAPK1NPC1RAB9A
SCHEMBL5638018 0.95 MAPK1 (0.40) HTTLIPGMAPK1NPC1RAB9A
SCHEMBL5639657 0.86 FYN (0.46) LIPGNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL5639311 0.84 FYN (0.47) LIPGMAPK1KMT2ASMN1; SMN2NPSR1
SCHEMBL5638433 0.83 LIPG (0.47) LIPGNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL5863067 0.83 HTT (0.44) HTTMAPK1NPC1RAB9ANTSR1
SCHEMBL5639299 0.83 LIPG (0.48) LIPGNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL5637865 0.83 LIPG (0.48) LIPGNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL5639884 0.82 FYN (0.46) LIPGNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL5863052 0.82 KDM4E (0.45) HTTMAPK1NPC1RAB9ANTSR1

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 HTT 912/4885LIPG 784/4885MAPK1 871/4885

“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.