SCHEMBL5638433

SCHEMBL5638433

CN(C)CCCCNC(=O)c1ccc(-c2nnc(CSCCOc3ccccc3)o2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.47
FYN P06241 1/20 0.43
ROCK2 O75116 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
ROCK1 Q13464 1/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
CACNA1H O95180 1/20 0.42
CACNA1B Q00975 1/20 0.42
HPGD P15428 1/20 0.41
POLB P06746 1/20 0.41
CASP3 P42574 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
SCHEMBL5637865 0.99 LIPG (0.48) LIPGFYNROCK2CYP3A4CYP2D6
SCHEMBL5639299 0.99 LIPG (0.48) LIPGFYNROCK2CYP3A4CYP2D6
SCHEMBL5639657 0.97 FYN (0.46) LIPGFYNROCK2CYP3A4CYP2D6
SCHEMBL5639884 0.94 FYN (0.46) LIPGFYNROCK2CYP3A4CYP2D6
SCHEMBL5641530 0.94 ALDH1A1 (0.47) LIPGFYNROCK2ROCK1MAPT
SCHEMBL5637952 0.93 LIPG (0.47) LIPGFYNROCK2CYP3A4CYP2D6
SCHEMBL5643111 0.91 LIPG (0.47) LIPGFYNSMN1; SMN2HPGDPOLB
SCHEMBL5638397 0.90 MAPT (0.44) LIPGFYNMAPTTP53NPC1
SCHEMBL5639311 0.88 FYN (0.47) LIPGFYNSMN1; SMN2HPGDPOLB
SCHEMBL5640815 0.88 KMT2A (0.46) LIPGCYP2C9MAPTTP53NPC1

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 5 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-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 LIPG 784/4885FYN 3183/4885ROCK2 2052/4885

“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.