SCHEMBL29318113

SCHEMBL29318113

COc1ccc(-c2cnnc(OC[C@H]3CC[C@H](C)CC3)c2)cc1[C@H]1C[C@@H]1C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
AAK1 Q2M2I8 2/20 0.32
CNR2 P34972 2/20 0.32
PDE4B Q07343 1/20 0.32
FPR2 P25090 1/20 0.32
HTR2A P28223 2/20 0.32
GPR119 Q8TDV5 2/20 0.32
HPGD P15428 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
KDM1A O60341 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
SCHEMBL29318111 1.00 HTR2C (0.35) HTR2CCYP11B1CYP11B2AAK1CNR2
SCHEMBL29318121 1.00 HTR2C (0.35) HTR2CCYP11B1CYP11B2AAK1CNR2
SCHEMBL29318117 0.89 HTR2C (0.37) HTR2CCYP11B1CYP11B2PDE4BFPR2
SCHEMBL29318119 0.89 HTR2C (0.37) HTR2CCYP11B1CYP11B2PDE4BFPR2
SCHEMBL23441518 0.81 LTC4S (0.36) HTR2CCYP11B1CYP11B2FFAR4
SCHEMBL23441505 0.81 LTC4S (0.36) HTR2CCYP11B1CYP11B2FFAR4
SCHEMBL23441541 0.81 LTC4S (0.36) HTR2CCYP11B1CYP11B2FFAR4
SCHEMBL31305496 0.81 LTC4S (0.36) HTR2CCYP11B1CYP11B2FFAR4
SCHEMBL23441519 0.81 LTC4S (0.36) HTR2CCYP11B1CYP11B2FFAR4
SCHEMBL23441503 0.81 LTC4S (0.36) HTR2CCYP11B1CYP11B2FFAR4

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 1761/4885CYP11B1 1441/4885CYP11B2 978/4885

“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.