SCHEMBL5638705

SCHEMBL5638705

CN(C)CCCOc1ccc(-c2nnc(CSCCCOc3ccccc3)o2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.53
TP53 P04637 3/20 0.50
MAPT P10636 3/20 0.50
PTPN1 P18031 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 3/20 0.48
ALDH1A1 P00352 3/20 0.48
RAB9A P51151 3/20 0.48
POLB P06746 2/20 0.48
CXCR1 P25024 1/20 0.47
HPGD P15428 2/20 0.45
TSHR P16473 2/20 0.45
GAA P10253 1/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TLR7 Q9NYK1 3/20 0.44
ATR Q13535 1/20 0.43
LMNA P02545 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL5638016 0.97 LSS (0.52) LSSTP53MAPTPTPN1SMN1; SMN2
SCHEMBL5640083 0.96 LSS (0.53) LSSTP53MAPTPTPN1SMN1; SMN2
SCHEMBL5637779 0.92 TP53 (0.52) LSSTP53MAPTPTPN1SMN1; SMN2
SCHEMBL5638825 0.92 LSS (0.49) LSSTP53MAPTPTPN1SMN1; SMN2
SCHEMBL5638644 0.91 TP53 (0.51) LSSTP53MAPTPTPN1SMN1; SMN2
SCHEMBL5636777 0.91 LSS (0.51) LSSTP53MAPTPTPN1SMN1; SMN2
SCHEMBL5636941 0.91 TP53 (0.51) LSSTP53MAPTPTPN1SMN1; SMN2
SCHEMBL5636953 0.91 TP53 (0.51) LSSTP53MAPTPTPN1SMN1; SMN2
SCHEMBL5638806 0.90 TP53 (0.54) LSSTP53MAPTPTPN1SMN1; SMN2
SCHEMBL14499771 0.89 LSS (0.53) LSSTP53MAPTPTPN1SMN1; SMN2

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 420/4885TP53 4306/4885MAPT 2221/4885

“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.