SCHEMBL5640169

SCHEMBL5640169

CN(C)CCCOc1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.75
KDM4E B2RXH2 7/20 0.62
ALDH1A1 P00352 7/20 0.62
NPC1 O15118 6/20 0.62
RAB9A P51151 6/20 0.62
HPGD P15428 5/20 0.62
SMN1; SMN2 Q16637 5/20 0.62
TP53 P04637 4/20 0.62
CXCR1 P25024 1/20 0.58
PTPN1 P18031 2/20 0.57
HSD17B10 Q99714 5/20 0.55
MAPT P10636 4/20 0.55
TSHR P16473 3/20 0.55
LMNA P02545 1/20 0.55
ATR Q13535 1/20 0.54
TLR7 Q9NYK1 3/20 0.52
SIGMAR1 Q99720 1/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49

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
SCHEMBL5640855 0.94 LSS (0.66) LSSKDM4EALDH1A1NPC1RAB9A
SCHEMBL5639342 0.92 LSS (0.62) LSSKDM4EALDH1A1NPC1RAB9A
SCHEMBL5639718 0.91 LSS (0.62) LSSKDM4EALDH1A1NPC1RAB9A
SCHEMBL5640148 0.88 RAB9A (0.62) LSSKDM4EALDH1A1NPC1RAB9A
SCHEMBL5638315 0.87 PTPN1 (0.61) LSSKDM4EALDH1A1NPC1RAB9A
SCHEMBL10679594 0.87 LSS (1.00) LSSKDM4EALDH1A1SMN1; SMN2CXCR1
SCHEMBL5638755 0.85 LSS (0.57) LSSKDM4EALDH1A1NPC1RAB9A
SCHEMBL5638713 0.85 LSS (0.57) LSSKDM4EALDH1A1NPC1RAB9A
SCHEMBL5638748 0.84 LSS (0.56) LSSKDM4EALDH1A1NPC1RAB9A
SCHEMBL5640031 0.83 POLB (0.55) LSSKDM4EALDH1A1NPC1RAB9A

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 420/4885KDM4E 2751/4885ALDH1A1 716/4885

“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.