SCHEMBL29438334

SCHEMBL29438334

O=C(N[C@H]1CCOc2ccccc21)c1cnc2c(-c3cccc(Cl)c3Cl)ccnc2c1N1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 4/20 0.39
▸ CNR2 P34972 8/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ CNR1 P21554 2/20 0.36
▸ TRPV1 Q8NER1 2/20 0.36
▸ BRD4 O60885 2/20 0.36
▸ CREBBP Q92793 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ RAB9A P51151 1/20 0.35

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
SCHEMBL20600069 1.00 P2RX7 (0.39) P2RX7CNR2MAPK1CNR1TRPV1
SCHEMBL20143007 0.91 CNR2 (0.39) P2RX7CNR2MAPK1CNR1TRPV1
SCHEMBL20154267 0.91 CNR2 (0.39) P2RX7CNR2MAPK1CNR1TRPV1
SCHEMBL30071194 0.91 CNR2 (0.39) P2RX7CNR2MAPK1CNR1TRPV1
SCHEMBL21875829 0.90 CNR2 (0.37) P2RX7CNR2CNR1BRD4CREBBP
SCHEMBL30824247 0.90 CNR2 (0.37) P2RX7CNR2CNR1BRD4CREBBP
SCHEMBL21875796 0.90 CNR2 (0.38) P2RX7CNR2MAPK1CNR1TRPV1
SCHEMBL29965225 0.90 CNR2 (0.38) P2RX7CNR2MAPK1CNR1TRPV1
SCHEMBL20600326 0.89 P2RX7 (0.44) P2RX7MAPK1TRPV1BRD4CREBBP
SCHEMBL30824208 0.89 P2RX7 (0.44) P2RX7MAPK1TRPV1BRD4CREBBP

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220064160-A1 BICYCLIC DERIVATIVES ELANCO TIERGESUNDHEIT AG (US) 2022-03-03 — — US claimed
CN-110770227-B Novel azaquinoline derivatives 拜耳动物保健有限责任公司 2024-03-01 — — CN disclosed
US-20220064160-A1 BICYCLIC DERIVATIVES ELANCO TIERGESUNDHEIT AG (US) 2022-03-03 — — 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-20220064160-A1 BICYCLIC DERIVATIVES FABP3, CYCS, PIGS P2RX7 803/4885CNR2 878/4885MAPK1 3920/4885

“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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