SCHEMBL5639342

SCHEMBL5639342

CN(C)CCCOc1ccc(-c2nnc(-c3ccc(Oc4ccccc4)cc3)o2)cc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.62
LTA4H P09960 3/20 0.60
KDM4E B2RXH2 5/20 0.56
ALDH1A1 P00352 5/20 0.56
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
HPGD P15428 3/20 0.56
TP53 P04637 2/20 0.56
CACNA1B Q00975 4/20 0.55
PTPN1 P18031 1/20 0.55
CXCR1 P25024 1/20 0.53
HSD17B10 Q99714 3/20 0.52
MAPT P10636 2/20 0.52
TSHR P16473 2/20 0.52
LMNA P02545 1/20 0.52
TLR7 Q9NYK1 2/20 0.50
ATR Q13535 1/20 0.50

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
SCHEMBL5640169 0.92 LSS (0.75) LSSKDM4EALDH1A1NPC1RAB9A
SCHEMBL5637440 0.89 RAB9A (0.57) LSSLTA4HKDM4EALDH1A1NPC1
SCHEMBL5640855 0.86 LSS (0.66) LSSKDM4EALDH1A1NPC1RAB9A
SCHEMBL5639718 0.86 LSS (0.62) LSSKDM4EALDH1A1NPC1RAB9A
SCHEMBL5638713 0.85 LSS (0.57) LSSLTA4HKDM4EALDH1A1NPC1
SCHEMBL5638315 0.85 PTPN1 (0.61) LSSKDM4EALDH1A1NPC1RAB9A
SCHEMBL13886633 0.84 LTA4H (0.83) LSSLTA4HKDM4EALDH1A1SMN1; SMN2
SCHEMBL5640031 0.83 POLB (0.55) LSSKDM4EALDH1A1NPC1RAB9A
SCHEMBL5637966 0.83 POLB (0.55) LSSKDM4EALDH1A1NPC1RAB9A
SCHEMBL5638705 0.82 LSS (0.53) LSSLTA4HKDM4EALDH1A1NPC1

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 420/4885LTA4H 659/4885KDM4E 2751/4885

“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.