SCHEMBL5638006

SCHEMBL5638006

OCc1nnc(-c2ccc(OCCCC3CCCCN3)cc2)o1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.42
NOTUM Q6P988 1/20 0.41
LTA4H P09960 9/20 0.41
KDM4E B2RXH2 3/20 0.39
NPC1 O15118 3/20 0.39
ALDH1A1 P00352 3/20 0.39
RAB9A P51151 3/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
TLR9 Q9NR96 3/20 0.38
TLR8 Q9NR97 3/20 0.38
TLR7 Q9NYK1 3/20 0.38
SSTR2 P30874 1/20 0.38
NPY1R P25929 1/20 0.38
TP53 P04637 1/20 0.37

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
SCHEMBL4095536 0.78 LTA4H (0.51) LTA4HSSTR2
SCHEMBL5638237 0.74 HRH3 (0.60) TLR9TLR7
SCHEMBL6611442 0.72 LTA4H (0.62) LTA4HNPY1R
SCHEMBL5158495 0.71 LTA4H (0.52) CHEK2LTA4HSSTR2
SCHEMBL5637347 0.71 LSS (0.51) NOTUMKDM4ENPC1ALDH1A1RAB9A
SCHEMBL1776804 0.69 POLB (0.54) NOTUMLTA4HNPC1ALDH1A1RAB9A
SCHEMBL10560161 0.69 LTA4H (0.68) LTA4H
SCHEMBL1776806 0.69 POLB (0.54) NOTUMLTA4HNPC1ALDH1A1RAB9A
SCHEMBL2185418 0.69 LTA4H (0.50) CHEK2LTA4HSSTR2NPY1R
SCHEMBL5737132 0.69 NFE2L2 (0.53) LTA4H

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 2 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

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 CHEK2 4695/4885NOTUM 1259/4885LTA4H 659/4885

“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.