SCHEMBL5639718

SCHEMBL5639718

CN(C)CCCOc1ccc(-c2nnc(-c3ccccc3-c3ccccc3)o2)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.62
NPC1 O15118 8/20 0.56
RAB9A P51151 8/20 0.56
ALDH1A1 P00352 7/20 0.56
KDM4E B2RXH2 6/20 0.56
HPGD P15428 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
TP53 P04637 3/20 0.56
CXCR1 P25024 1/20 0.53
PTPN1 P18031 2/20 0.52
LMNA P02545 2/20 0.51
ATR Q13535 1/20 0.50
HSD17B10 Q99714 4/20 0.49
MAPT P10636 3/20 0.49
TSHR P16473 3/20 0.49
TLR7 Q9NYK1 3/20 0.47

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 0.91 LSS (0.75) LSSNPC1RAB9AALDH1A1KDM4E
SCHEMBL5639342 0.86 LSS (0.62) LSSNPC1RAB9AALDH1A1KDM4E
SCHEMBL5640855 0.85 LSS (0.66) LSSNPC1RAB9AALDH1A1KDM4E
SCHEMBL14016567 0.84 ALDH1A1 (0.60) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL6185875 0.82 RAB9A (0.57) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL5638315 0.81 PTPN1 (0.61) LSSNPC1RAB9AALDH1A1KDM4E
SCHEMBL5640148 0.80 RAB9A (0.62) LSSNPC1RAB9AALDH1A1KDM4E
SCHEMBL5638713 0.80 LSS (0.57) LSSNPC1RAB9AALDH1A1KDM4E
SCHEMBL5637347 0.79 LSS (0.51) LSSNPC1RAB9AALDH1A1KDM4E
SCHEMBL10679594 0.78 LSS (1.00) LSSALDH1A1KDM4ESMN1; SMN2CXCR1

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 420/4885NPC1 457/4885RAB9A 1063/4885

“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.