SCHEMBL2534945

SCHEMBL2534945

Cc1cc(Cl)nc2ccc(CO)cc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.76
KDM4E B2RXH2 2/20 0.76
CYP2C19 P33261 1/20 0.76
HIF1A Q16665 1/20 0.76
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP1A2 P05177 2/20 0.41
HPGD P15428 2/20 0.41
RECQL P46063 1/20 0.41
NPFFR1 Q9GZQ6 1/20 0.40
NPFFR2 Q9Y5X5 1/20 0.40
CYP2C9 P11712 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PDE2A O00408 1/20 0.37
PDE10A Q9Y233 1/20 0.37
LMNA P02545 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
HTT P42858 1/20 0.35
RAD52 P43351 1/20 0.35

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
SCHEMBL30908484 0.87 KDM4E (0.57) CYP3A4KDM4ECYP2C19HIF1AHSD17B10
SCHEMBL14286188 0.86 KDM4E (1.00) CYP3A4KDM4ECYP2C19HIF1AHSD17B10
SCHEMBL2540087 0.85 KDM4E (0.78) CYP3A4KDM4ECYP2C19HIF1AHSD17B10
SCHEMBL2539722 0.83 KDM4E (0.76) CYP3A4KDM4ECYP2C19HIF1AHSD17B10
SCHEMBL2537741 0.81 CYP3A4 (0.71) CYP3A4KDM4ECYP2C19HIF1AHSD17B10
SCHEMBL7059976 0.78 KDM4E (0.68) CYP3A4KDM4ECYP2C19HIF1AMAPT
SCHEMBL2535691 0.77 KDM4E (0.62) CYP3A4KDM4ECYP2C19HIF1AHSD17B10
SCHEMBL7051543 0.77 KDM4E (0.66) CYP3A4KDM4ECYP2C19HIF1AHSD17B10
SCHEMBL2538787 0.77 KDM4E (0.66) CYP3A4KDM4ECYP2C19HIF1AALDH1A1
SCHEMBL2538783 0.77 KDM4E (0.66) CYP3A4KDM4ECYP2C19HIF1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044068-B2 Aminopyrrolidine compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-10-25 US disclosed
US-8044068-B2 Aminopyrrolidine compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-10-25 US disclosed
US-8044068-B2 Aminopyrrolidine compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-10-25 US disclosed
US-20090291940-A1 AMINOPYRROLIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 US disclosed
US-20090291940-A1 AMINOPYRROLIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 US disclosed
US-20090291940-A1 AMINOPYRROLIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 US disclosed
EP-2003131-A1 AMINOPYRROLIDINE COMPOUND Taisho Pharmaceutical Co. Ltd. (JP) 2008-12-17 EP 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-20090291940-A1 AMINOPYRROLIDINE COMPOUND MC4R, MC5R, MC2R CYP3A4 1329/4885KDM4E 728/4885CYP2C19 1644/4885

“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.