SCHEMBL22487883

SCHEMBL22487883

CCCCCCCC(C)(CCCCCC)c1ncc[nH]1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CNR2 P34972 2/20 0.30
GPR84 Q9NQS5 1/20 0.30
CNR1 P21554 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
SCHEMBL20047584 1.00 CYP19A1 (0.37) CYP19A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL21719818 1.00 CYP19A1 (0.37) CYP19A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL11015815 1.00 CYP19A1 (0.37) CYP19A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL19186683 0.98 CYP19A1 (0.36) CYP19A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL21191816 0.97 CYP19A1 (0.37) CYP19A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL25627105 0.90 CYP19A1 (0.37) CYP19A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17803621 0.89 CYP1A2 (0.31) CYP19A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL22059382 0.86 CYP19A1 (0.37) CYP19A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL27922362 0.84 CYP19A1 (0.38) CYP19A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL11306595 0.82 CYP19A1 (0.39) CYP19A1CYP1A2CYP3A4CYP2D6CYP2C9

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-20230183233-A1 Bicyclic Pyridin-2-one and pyrimidin-4-one Derivatives Useful As a Factor XIa Inhibitors JANSSEN PHARMACEUTICA NV (BE) 2023-06-15 US disclosed
US-20200308165-A1 Compounds as Ras Inhibitors and Use Thereof D. E. SHAW RESEARCH, LLC 2020-10-01 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 (2 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-20230183233-A1 Bicyclic Pyridin-2-one and pyrimidin-4-one Derivatives Useful As a Factor XIa Inhibitors KLKB1, F2, SERPINC1 CYP19A1 227/4885CYP1A2 385/4885CYP3A4 436/4885
US-20200308165-A1 Compounds as Ras Inhibitors and Use Thereof KRAS, NRAS, HRAS CYP19A1 2473/4885CYP1A2 2350/4885CYP3A4 1757/4885

“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.