SCHEMBL29318132

SCHEMBL29318132

COc1ccc(-c2cnnc(CO)c2)cc1C1CC1C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.37
AAK1 Q2M2I8 2/20 0.34
PDE4B Q07343 2/20 0.33
FFAR4 Q5NUL3 3/20 0.33
TNF P01375 1/20 0.32
MTNR1A P48039 2/20 0.31
MTNR1B P49286 2/20 0.31
MAPK14 Q16539 1/20 0.31
MIF P14174 1/20 0.31
ROCK2 O75116 1/20 0.31
KDM1A O60341 1/20 0.30

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
SCHEMBL29318135 0.92 HTR2C (0.37) HTR2CAAK1PDE4BMTNR1AMTNR1B
SCHEMBL29318148 0.87 HTR2C (0.36) HTR2CFFAR4MTNR1AMTNR1B
SCHEMBL29318139 0.86 AAK1 (0.38) HTR2CAAK1PDE4BMTNR1AMTNR1B
SCHEMBL29318141 0.86 HTR2C (0.35) HTR2CAAK1
SCHEMBL29318121 0.81 HTR2C (0.35) HTR2CAAK1PDE4BFFAR4KDM1A
SCHEMBL29318111 0.81 HTR2C (0.35) HTR2CAAK1PDE4BFFAR4KDM1A
SCHEMBL29318113 0.81 HTR2C (0.35) HTR2CAAK1PDE4BFFAR4KDM1A
SCHEMBL29318128 0.80 CYP11B1 (0.41) HTR2CPDE4BMTNR1AMTNR1BMIF
SCHEMBL29318149 0.79 AAK1 (0.36) HTR2CAAK1PDE4B
SCHEMBL29318567 0.73 TSHR (0.42) PDE4BMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239756-A1 NOVEL 3, 5-DISUBSTITUTED PYRIDINE AND 3, 5-DISUBSTITUTED PYRIDAZINE DERIVATIVES AND PHARMACEUTICAL USE OF SAME MITSUBISHI TANABE PHARMA CORPORATION (JP) 2024-07-18 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-20240239756-A1 NOVEL 3, 5-DISUBSTITUTED PYRIDINE AND 3, 5-DISUBSTITUTED PYRIDAZINE DERIVATIVES AND PHARMACEUTICAL USE OF SAME ENPP2, SSB, PLPBP HTR2C 1761/4885AAK1 2836/4885PDE4B 308/4885

“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.