SCHEMBL29318148

SCHEMBL29318148

COc1ccc(-c2cnnc(CCc3ccc(C)cc3)c2)cc1C1CC1C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.36
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
FFAR4 Q5NUL3 2/20 0.33
CTSA P10619 1/20 0.33
GPR88 Q9GZN0 1/20 0.32
GAA P10253 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
CASP6 P55212 1/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
HPGD P15428 1/20 0.31

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
SCHEMBL29318155 0.89 CA1 (0.40) HTR2CCA12CA1CA2CA9
SCHEMBL29318141 0.87 HTR2C (0.35) HTR2CCTSAPOLBLMNAPKM
SCHEMBL29318132 0.87 HTR2C (0.37) HTR2CFFAR4MTNR1AMTNR1B
SCHEMBL29318135 0.87 HTR2C (0.37) HTR2CCA12CA1CA2CA9
SCHEMBL29318149 0.81 AAK1 (0.36) HTR2C
SCHEMBL29318139 0.81 AAK1 (0.38) HTR2CCA12CA1CA2CA9
SCHEMBL29318127 0.80 POLB (0.37) HTR2CPOLBLMNAPKMHPGD
SCHEMBL23441567 0.79 FFAR4 (0.53) CA12CA1CA2CA9FFAR4
SCHEMBL23441566 0.79 FFAR4 (0.53) CA12CA1CA2CA9FFAR4
SCHEMBL29318113 0.76 HTR2C (0.35) HTR2CFFAR4HPGD

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 1761/4885CA12 823/4885CA1 1438/4885

“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.