SCHEMBL5636640

SCHEMBL5636640

CN1CCN(CCCNC(=O)c2ccc(-c3nnc(CSCCOc4ccccc4)o3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.47
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
KCNH2 Q12809 3/20 0.43
CHRNA7 P36544 2/20 0.43
DRD2 P14416 5/20 0.43
DRD3 P35462 5/20 0.43
DRD4 P21917 4/20 0.43
LIPG Q9Y5X9 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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 0.94 KCNH2 (0.49) SLC6A2SLC6A4KCNH2CHRNA7LIPG
SCHEMBL5638913 0.92 KDM4E (0.52) TSHRKDM4EALDH1A1SMN1; SMN2
SCHEMBL5637698 0.91 KCNH2 (0.50) KCNH2CHRNA7DRD2DRD3DRD4
SCHEMBL5640772 0.88 GLA (0.48) KCNH2CHRNA7CYP2D6ALDH1A1
SCHEMBL5637706 0.88 GLA (0.47) TP53KCNH2CHRNA7RAB9ACYP2D6
SCHEMBL5641169 0.87 CD274 (0.56) KCNH2CYP2D6ALDH1A1
SCHEMBL5639657 0.84 FYN (0.46) TP53LIPGNPC1RAB9ACYP3A4
SCHEMBL5638433 0.83 LIPG (0.47) TP53DRD2DRD3DRD4LIPG
SCHEMBL5637933 0.83 ACKR3 (0.44) TP53LIPG
SCHEMBL5639454 0.83 GAA (0.56) NPC1TSHRALDH1A1SMN1; 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 TP53 4306/4885SLC6A2 49/4885SLC6A4 113/4885

“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.