SCHEMBL29318117

SCHEMBL29318117

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.37
FFAR4 Q5NUL3 5/20 0.36
FFAR1 O14842 4/20 0.35
LTC4S Q16873 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
CA12 O43570 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
HTR2A P28223 1/20 0.34
FPR2 P25090 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
SCHEMBL29318119 1.00 HTR2C (0.37) HTR2CFFAR4FFAR1LTC4SCA1
SCHEMBL23441503 0.90 LTC4S (0.36) HTR2CFFAR4FFAR1LTC4SCYP11B1
SCHEMBL31305496 0.90 LTC4S (0.36) HTR2CFFAR4FFAR1LTC4SCYP11B1
SCHEMBL30406011 0.90 LTC4S (0.36) HTR2CFFAR4FFAR1LTC4SCYP11B1
SCHEMBL23441517 0.90 LTC4S (0.36) HTR2CFFAR4FFAR1LTC4SCYP11B1
SCHEMBL23441505 0.90 LTC4S (0.36) HTR2CFFAR4FFAR1LTC4SCYP11B1
SCHEMBL23441519 0.90 LTC4S (0.36) HTR2CFFAR4FFAR1LTC4SCYP11B1
SCHEMBL23441541 0.90 LTC4S (0.36) HTR2CFFAR4FFAR1LTC4SCYP11B1
SCHEMBL23441518 0.90 LTC4S (0.36) HTR2CFFAR4FFAR1LTC4SCYP11B1
SCHEMBL29318121 0.89 HTR2C (0.35) HTR2CFFAR4PDE4BCYP11B1CYP11B2

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 1761/4885FFAR4 1677/4885FFAR1 1458/4885

“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.