SCHEMBL5637555

SCHEMBL5637555

O=C(NCC(O)CO)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.56
NR4A2 P43354 1/20 0.56
NR4A3 Q92570 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
SPHK2 Q9NRA0 1/20 0.55
SPHK1 Q9NYA1 1/20 0.55
ALDH1A1 P00352 2/20 0.55
MAPT P10636 1/20 0.55
HDAC3 O15379 2/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC2 Q92769 2/20 0.54
NCOR2 Q9Y618 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54

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
SCHEMBL25870996 0.86 NR4A1 (0.66) NR4A1NR4A2NR4A3SMN1; SMN2NPC1
SCHEMBL16187630 0.82 MAOB (0.51) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL5641504 0.81 ADRB2 (0.68) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL6154030 0.81 NPC1 (0.64) SMN1; SMN2NPC1RAB9AKMT2AALDH1A1
SCHEMBL3465056 0.81 NPC1 (0.64) SMN1; SMN2NPC1RAB9AKMT2AALDH1A1
SCHEMBL7296744 0.81 SPHK2 (0.80) NR4A1NR4A2NR4A3SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL27854881 0.80 NPC1 (0.62) SMN1; SMN2NPC1RAB9AKMT2AALDH1A1
SCHEMBL10874652 0.80 HDAC3 (0.58) NR4A1NR4A2NR4A3SMN1; SMN2NPC1
SCHEMBL1222408 0.79 ITGB3 (0.73) NR4A1NR4A2NR4A3SMN1; SMN2NPC1
SCHEMBL11568980 0.78 ADRB1 (0.67) MEN1KMT2ASPHK2SPHK1ALDH1A1

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 NR4A1 1723/4885NR4A2 2279/4885NR4A3 1692/4885

“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.