SCHEMBL5637543

SCHEMBL5637543

CC(C)(C)OC(=O)N1CCCN(CCCCl)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HPGD P15428 1/20 0.43
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TLR8 Q9NR97 1/20 0.43
EPHX2 P34913 5/20 0.42
CHRM2 P08172 2/20 0.42
CHRM1 P11229 2/20 0.42
CHRM4 P08173 1/20 0.41
CHRM3 P20309 1/20 0.41
ACKR3 P25106 2/20 0.41
MAPT P10636 1/20 0.41
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40

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
SCHEMBL168471 0.94 USP2 (0.47) MEN1KMT2AUSP2SMN1; SMN2TLR8
SCHEMBL20511855 0.90 USP2 (0.46) MEN1KMT2AUSP2SMN1; SMN2TLR8
SCHEMBL27317678 0.87 MEN1 (0.46) MEN1KMT2AHPGDUSP2SMN1; SMN2
SCHEMBL17782085 0.86 HPGD (0.49) MEN1KMT2AHPGDUSP2SMN1; SMN2
SCHEMBL7989266 0.86 TLR8 (0.45) MEN1KMT2AHPGDUSP2SMN1; SMN2
SCHEMBL6486601 0.86 MEN1 (0.45) MEN1KMT2AHPGDUSP2SMN1; SMN2
SCHEMBL25971441 0.86 MEN1 (0.45) MEN1KMT2AHPGDUSP2SMN1; SMN2
SCHEMBL31706506 0.86 MEN1 (0.45) MEN1KMT2AHPGDUSP2SMN1; SMN2
SCHEMBL39755 0.85 USP2 (0.50) MEN1KMT2AHPGDUSP2SMN1; SMN2
SCHEMBL20873847 0.85 USP2 (0.53) HPGDUSP2SMN1; SMN2TLR8EPHX2

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 4 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-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 MEN1 494/4885KMT2A 2662/4885HPGD 611/4885

“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.