SCHEMBL12876105

SCHEMBL12876105

CCOC(=O)c1cnn(Cc2nc(-c3cc(C)cc(Cl)c3)sc2C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 2/20 0.40
RARB P10826 2/20 0.40
RARG P13631 2/20 0.40
GRM2 Q14416 1/20 0.39
TRPM8 Q7Z2W7 3/20 0.39
MAPT P10636 3/20 0.39
PTPN11 Q06124 2/20 0.38
GABRA2 P47869 2/20 0.37
GABRB2 P47870 2/20 0.37
ALDH1A1 P00352 2/20 0.36
PKM P14618 1/20 0.36
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
KLKB1 P03952 1/20 0.35
ENPP2 Q13822 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.34

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
SCHEMBL12877045 0.89 TRPM8 (0.41) RARARARBRARGGRM2TRPM8
SCHEMBL1198939 0.89 MAPT (0.43) RARARARBRARGGRM2TRPM8
SCHEMBL12876039 0.89 RARA (0.42) RARARARBRARGGRM2TRPM8
SCHEMBL12876099 0.89 GRM2 (0.45) RARARARBRARGGRM2TRPM8
SCHEMBL12876109 0.88 L3MBTL1 (0.39) RARARARBRARGKDM4EKLKB1
SCHEMBL12876245 0.87 GRM2 (0.42) RARARARBRARGGRM2TRPM8
SCHEMBL12875933 0.85 RARA (0.47) RARARARBRARGGRM2TRPM8
SCHEMBL12876175 0.85 RARA (0.42) RARARARBRARGGRM2TRPM8
SCHEMBL12876048 0.83 RARA (0.44) RARARARBRARGGRM2TRPM8
SCHEMBL12876095 0.83 GRM2 (0.45) RARARARBRARGGRM2TRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 US disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 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-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF PDE3B, PDE5A, PDE2A RARA 2748/4885RARB 2205/4885RARG 2182/4885

“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.