SCHEMBL5022955

SCHEMBL5022955

CCOC(=O)c1nn(C)c(-c2ccc(Cl)cc2)c1CC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.52
MAPT P10636 1/20 0.52
GABRA2 P47869 3/20 0.51
GABRB2 P47870 3/20 0.51
TARBP2 Q15633 1/20 0.50
KDM4E B2RXH2 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA9 Q16790 1/20 0.47
GRM5 P41594 1/20 0.47
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ELANE P08246 1/20 0.46
TP53 P04637 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL5023771 0.87 CNR1 (0.55) CYP19A1MAPTGABRA2GABRB2TARBP2
SCHEMBL3538171 0.82 GRM5 (0.43) MAPTTARBP2KDM4EGRM5HPGD
SCHEMBL2865960 0.80 CNR1 (0.61) MAPTGABRA2GABRB2KDM4ECNR1
SCHEMBL5023848 0.80 GABRA2 (0.48) MAPTGABRA2GABRB2TARBP2KDM4E
SCHEMBL4181668 0.77 CA1 (0.55) CYP19A1MAPTGABRA2GABRB2TARBP2
SCHEMBL12871872 0.76 CRHR1 (0.46) NPC1RAB9AGRM5ALDH1A1CNR1
SCHEMBL649784 0.76 ALDH1A1 (0.50) CYP19A1MAPTNPC1RAB9ACA1
SCHEMBL4186603 0.76 CA1 (0.54) CYP19A1MAPTGABRA2GABRB2TARBP2
SCHEMBL2874753 0.75 CNR1 (0.66) GABRA2GABRB2CNR1
SCHEMBL7973221 0.75 ALDH1A1 (0.51) CYP19A1MAPTGABRA2GABRB2TARBP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1725546-B1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS HOFFMANN LA ROCHE (CH) 2008-10-08 EP disclosed
US-7265149-B2 Indolyl derivatives HOFFMANN-LA ROCHE INC. (US) 2007-09-04 US disclosed
EP-1725546-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2006-11-29 EP disclosed
WO-2005085235-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-15 WO disclosed
US-20050203160-A1 Indolyl derivatives HOFFMANN-LA ROCHE INC. 2005-09-15 US 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-20050203160-A1 Indolyl derivatives PPARD, PPARA, PPARG CYP19A1 299/4885MAPT 3559/4885GABRA2 1307/4885

“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.