SCHEMBL5637347

SCHEMBL5637347

CN(C)CCCOc1ccc(-c2nnc(CO)o2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.51
TLR7 Q9NYK1 4/20 0.50
NOTUM Q6P988 1/20 0.50
PTPN1 P18031 1/20 0.49
MAPT P10636 5/20 0.49
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 4/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
HSD17B10 Q99714 3/20 0.49
TSHR P16473 2/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
HPGD P15428 2/20 0.46
HRH3 Q9Y5N1 2/20 0.46
CXCR1 P25024 1/20 0.44
ALOX15 P16050 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL14499716 0.87 LSS (0.51) LSSTLR7NOTUMPTPN1MAPT
Hydrochloric Acid SCHEMBL5639339 0.86 LSS (0.50) LSSTLR7NOTUMPTPN1MAPT
SCHEMBL5638708 0.86 TLR7 (0.45) LSSTLR7PTPN1MAPTKDM4E
Hydrochloric Acid SCHEMBL5639166 0.85 TLR7 (0.44) LSSTLR7PTPN1MAPTKDM4E
SCHEMBL5638713 0.83 LSS (0.57) LSSTLR7PTPN1MAPTKDM4E
SCHEMBL5640169 0.81 LSS (0.75) LSSTLR7PTPN1MAPTKDM4E
SCHEMBL5640148 0.81 RAB9A (0.62) LSSPTPN1MAPTKDM4EALDH1A1
SCHEMBL5637211 0.81 TLR7 (0.45) LSSTLR7PTPN1MAPTKDM4E
SCHEMBL5637966 0.81 POLB (0.55) LSSTLR7PTPN1MAPTKDM4E
SCHEMBL5640031 0.81 POLB (0.55) LSSTLR7PTPN1MAPTKDM4E

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 6 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
EP-1505968-A1 MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2005-02-16 EP disclosed
WO-2003097047-A1 MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2003-11-27 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-20050272718-A1 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes MC1R, MC4R, MC5R LSS 420/4885TLR7 2961/4885NOTUM 1259/4885

“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.