SCHEMBL31700699

SCHEMBL31700699

COc1nccc2c(N3CC4(CCN(C(=O)OC(C)(C)C)C4)C3)ccnc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 1/20 0.48
▸ EIF2AK4 Q9P2K8 2/20 0.41
▸ SCD5 Q86SK9 1/20 0.41
▸ CYP3A4 P08684 4/20 0.39
▸ CYP2D6 P10635 4/20 0.39
▸ CYP2C9 P11712 3/20 0.39
▸ PARP1 P09874 2/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ HSD17B10 Q99714 4/20 0.39
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ ACACB O00763 3/20 0.38
▸ GPR183 P32249 1/20 0.38
▸ HPGD P15428 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38

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
SCHEMBL31700958 0.95 CYP11B2 (0.50) CYP11B2EIF2AK4SCD5CYP3A4CYP2D6
SCHEMBL31702192 0.95 CYP11B2 (0.54) CYP11B2EIF2AK4SCD5CYP3A4CYP2D6
SCHEMBL31701150 0.95 CYP11B2 (0.47) CYP11B2EIF2AK4SCD5CYP3A4CYP2D6
SCHEMBL31701356 0.92 CYP11B2 (0.48) CYP11B2EIF2AK4SCD5CYP3A4CYP2D6
SCHEMBL31701479 0.83 CYP11B2 (0.49) CYP11B2SCD5CYP3A4CYP2D6CYP2C9
SCHEMBL484892 0.78 CYP11B2 (0.57) CYP11B2EIF2AK4SCD5PARP1ACACB
SCHEMBL31701313 0.77 CYP2C19 (0.40) CYP3A4CYP2D6CYP2C9ALDH1A1HSD17B10
SCHEMBL24746924 0.77 CYP11B2 (0.49) CYP11B2SCD5CYP3A4CYP2D6CYP2C9
SCHEMBL30064743 0.77 CYP11B2 (0.49) CYP11B2SCD5CYP3A4CYP2D6CYP2C9
SCHEMBL30328488 0.76 CYP11B2 (0.48) CYP11B2EIF2AK4SCD5CYP3A4CYP2D6

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-20250320204-A1 7-AZA BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC (US) 2025-10-16 — — 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-20250320204-A1 7-AZA BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS ENPP1, ENPP3, PDE7A CYP11B2 789/4885EIF2AK4 3961/4885SCD5 1796/4885

“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.

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