SCHEMBL29318691

SCHEMBL29318691

CCOC(=O)c1cncc(C2CNCCO2)c1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
TAAR1 Q96RJ0 2/20 0.47
SLC6A3 Q01959 1/20 0.47
KCNH2 Q12809 1/20 0.47

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
SCHEMBL27455955 0.83 SLC6A3 (0.56) TAAR1SLC6A3KCNH2
SCHEMBL28042573 0.82 TAAR1 (0.52) TAAR1
SCHEMBL29318701 0.81
SCHEMBL13406362 0.77 CYP2C9 (0.54) CYP2C9CYP2C19
SCHEMBL29318695 0.74
SCHEMBL1532952 0.73 DRD2 (0.61) TAAR1SLC6A3KCNH2
SCHEMBL28781927 0.72 CYP2C19 (0.51) CYP2C9CYP2C19KCNH2
SCHEMBL277284 0.72 CYP2C19 (0.86) CYP2C9CYP2C19
SCHEMBL28288780 0.71 DRD2 (0.41)
SCHEMBL27996891 0.71 DRD2 (0.48)

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-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
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 CYP2C9 3362/4885CYP2C19 2729/4885TAAR1 1552/4885

“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.