SCHEMBL5665012

SCHEMBL5665012

O=C(NNC(=O)c1ccccc1-c1ccccc1)c1ccc(O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
MAPT P10636 1/20 0.61
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
CTDSP1 Q9GZU7 1/20 0.58
CHRNB2 P17787 3/20 0.56
CHRNB4 P30926 3/20 0.56
CHRNA3 P32297 3/20 0.56
CHRNA4 P43681 3/20 0.56
HPGD P15428 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
DEGS1 O15121 1/20 0.53
HTT P42858 2/20 0.51
KDM4E B2RXH2 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
GAA P10253 2/20 0.50
BCAT2 O15382 1/20 0.49

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
SCHEMBL17069887 0.82 NPC1 (0.61) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL5638972 0.82 RAB9A (0.84) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL7167629 0.81 LIG1 (0.61) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL27577620 0.77 CHRNB2 (0.61) ALDH1A1MEN1KMT2ACHRNB2CHRNB4
SCHEMBL7016554 0.77 CHRNB2 (0.56) ALDH1A1MEN1KMT2ACHRNB2CHRNB4
SCHEMBL14527275 0.76 ALDH1A1 (1.00) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL5666279 0.75 RAB9A (0.70) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL2294732 0.74 HSD17B10 (0.66) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL975666 0.74 CHRNB2 (0.67) ALDH1A1MEN1KMT2ACHRNB2CHRNB4
SCHEMBL3977724 0.74 NPC1 (0.50) ALDH1A1MAPTMEN1KMT2ANPC1

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 ALDH1A1 716/4885MAPT 2221/4885MEN1 494/4885

“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.