SCHEMBL3569157

SCHEMBL3569157

c1cc2c(cc1C1=NCCC1)OCO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.51
KDM4E B2RXH2 4/20 0.49
LMNA P02545 2/20 0.49
WDR5 P61964 1/20 0.44
PTGS2 P35354 2/20 0.43
PTGS1 P23219 1/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 2/20 0.43
DCUN1D1 Q96GG9 1/20 0.43
CHRNB4 P30926 7/20 0.42
CHRNA3 P32297 7/20 0.42
POLB P06746 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL3572499 0.72 NISCH (0.48) NISCHKDM4ELMNAPTGS2PTGS1
SCHEMBL18985115 0.71 CHRNB4 (0.67) NISCHALDH1A1CHRNB4CHRNA3
SCHEMBL22162812 0.71 CA12 (0.58) NISCHKDM4ELMNAPTGS2ALDH1A1
SCHEMBL4806998 0.71 PTGS2 (0.47) NISCHKDM4ELMNAWDR5PTGS2
SCHEMBL14047263 0.69 CHRNB4 (0.54) ALDH1A1CHRNB4CHRNA3
SCHEMBL1977761 0.69 CHRNB4 (0.54) ALDH1A1MAPTCHRNB4CHRNA3
SCHEMBL20819791 0.68 CHRNB4 (0.53) NISCHALDH1A1SMN1; SMN2CHRNB4CHRNA3
SCHEMBL7109930 0.68 NISCH (0.50) NISCHKDM4ELMNAPTGS2ALDH1A1
SCHEMBL2692579 0.67 CA12 (0.59) KDM4ELMNAPTGS2ALDH1A1SMN1; SMN2
SCHEMBL29629010 0.67 PTGS2 (0.58) KDM4ELMNAPTGS2ALDH1A1SMN1; SMN2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7807691-B2 Substituted N-arylpyrrolidines as selective androgen receptor modulators ELI LILLY AND COMPANY (US) 2010-10-05 US disclosed
US-7807691-B2 Substituted N-arylpyrrolidines as selective androgen receptor modulators ELI LILLY AND COMPANY (US) 2010-10-05 US disclosed
US-7807691-B2 Substituted N-arylpyrrolidines as selective androgen receptor modulators ELI LILLY AND COMPANY (US) 2010-10-05 US disclosed
EP-1891038-B1 SUBSTITUTED N-ARYLPYRROLIDINES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS LILLY CO ELI (US) 2008-10-29 EP disclosed
US-20080176864-A1 Substituted N-Arylpyrrolidines as Selective Androgen Receptor Modulators ELI LILLY AND COMPANY 2008-07-24 US disclosed
US-20080176864-A1 Substituted N-Arylpyrrolidines as Selective Androgen Receptor Modulators ELI LILLY AND COMPANY 2008-07-24 US disclosed
US-20080176864-A1 Substituted N-Arylpyrrolidines as Selective Androgen Receptor Modulators ELI LILLY AND COMPANY 2008-07-24 US disclosed
EP-1891038-A2 SUBSTITUTED N-ARYLPYRROLIDINES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2008-02-27 EP disclosed
WO-2006124447-A2 SUBSTITUTED N-ARYLPYRROLIDINES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-11-23 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-20080176864-A1 Substituted N-Arylpyrrolidines as Selective Androgen Receptor Modulators AR, FSHR, SHBG NISCH 1956/4885KDM4E 2955/4885LMNA 3854/4885

“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.