SCHEMBL3572499

SCHEMBL3572499

CC1(C)CN=C(c2ccc3c(c2)OCO3)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.48
KDM4E B2RXH2 7/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
ALDH1A1 P00352 6/20 0.43
RAB9A P51151 6/20 0.43
NPC1 O15118 5/20 0.43
MAPT P10636 5/20 0.43
BRD4 O60885 1/20 0.42
HSD17B10 Q99714 3/20 0.42
POLB P06746 2/20 0.42
LMNA P02545 4/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
USP2 O75604 2/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
KMT2A Q03164 3/20 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
SCHEMBL3569157 0.72 NISCH (0.51) NISCHKDM4ESMN1; SMN2ALDH1A1RAB9A
SCHEMBL22162812 0.67 CA12 (0.58) NISCHKDM4ESMN1; SMN2ALDH1A1RAB9A
SCHEMBL9368268 0.67 MAPT (0.50) NISCHKDM4ESMN1; SMN2ALDH1A1RAB9A
SCHEMBL10165327 0.66 ALDH1A1 (0.53) KDM4ESMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL8988345 0.65 MAPT (0.67) KDM4ESMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL7109930 0.65 NISCH (0.50) NISCHKDM4ESMN1; SMN2ALDH1A1RAB9A
SCHEMBL2692579 0.64 CA12 (0.59) KDM4ESMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL26923012 0.64 KDM4E (0.50) NISCHKDM4ESMN1; SMN2ALDH1A1RAB9A
SCHEMBL29629010 0.64 PTGS2 (0.58) KDM4ESMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL6923809 0.64 CA12 (0.54) NISCHKDM4ESMN1; SMN2ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101175747-B Substituted N-arylpyrrolidines as selective androgen receptor modulators LILLY CO ELI 2011-06-22 CN 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
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
CN-101175747-A Substituted N-arylpyrrolidines as selective androgen receptor modulators LILLY CO ELI (US) 2008-05-07 CN 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 2955/4885SMN1; SMN2 376/4885

“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.