SCHEMBL5637698

SCHEMBL5637698

O=C(NCCCCN1CCCC1)c1ccc(-c2nnc(CSCCOc3ccccc3)o2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.50
CHRNA7 P36544 2/20 0.50
ACHE P22303 1/20 0.45
DRD2 P14416 4/20 0.45
DRD3 P35462 4/20 0.45
DRD4 P21917 3/20 0.45
LIPG Q9Y5X9 1/20 0.45
HRH4 Q9H3N8 3/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FPR3 P25089 1/20 0.44
FPR2 P25090 1/20 0.44
HRH3 Q9Y5N1 4/20 0.43
HRH1 P35367 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
SCHEMBL5637839 0.97 KCNH2 (0.49) KCNH2CHRNA7ACHELIPGHRH4
SCHEMBL5640772 0.94 GLA (0.48) KCNH2CHRNA7ALDH1A1
SCHEMBL5637706 0.93 GLA (0.47) KCNH2CHRNA7ACHEALDH1A1
SCHEMBL5638913 0.91 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2HRH3
SCHEMBL5636640 0.91 TP53 (0.47) KCNH2CHRNA7DRD2DRD3DRD4
SCHEMBL5641169 0.88 CD274 (0.56) KCNH2ALDH1A1
SCHEMBL5637532 0.86 HTR3A (0.52) KCNH2CHRNA7ACHE
SCHEMBL5638442 0.86 HRH3 (0.56) KCNH2HRH4HRH3HRH1
SCHEMBL5639317 0.85 HRH3 (0.58) KCNH2HRH4HRH3HRH1
SCHEMBL5637116 0.85 HRH3 (0.58) KCNH2HRH4HRH3HRH1

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 KCNH2 3199/4885CHRNA7 2755/4885ACHE 2049/4885

“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.