SCHEMBL21875829

SCHEMBL21875829

O=C(N[C@H]1CCOc2ccccc21)c1cnc2c(-c3cccc(Cl)c3Cl)cnnc2c1N1CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 9/20 0.37
▸ P2RX7 Q99572 4/20 0.37
▸ CNR1 P21554 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
▸ EPHB3 P54753 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ TAS1R3 Q7RTX0 1/20 0.34
▸ TAS1R1 Q7RTX1 1/20 0.34
▸ TAS1R2 Q8TE23 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
SCHEMBL30824247 1.00 CNR2 (0.37) CNR2P2RX7CNR1BRD4CREBBP
SCHEMBL29438334 0.90 P2RX7 (0.39) CNR2P2RX7CNR1BRD4CREBBP
SCHEMBL20600069 0.90 P2RX7 (0.39) CNR2P2RX7CNR1BRD4CREBBP
SCHEMBL20154267 0.88 CNR2 (0.39) CNR2P2RX7CNR1BRD4CREBBP
SCHEMBL20143007 0.88 CNR2 (0.39) CNR2P2RX7CNR1BRD4CREBBP
SCHEMBL30071194 0.88 CNR2 (0.39) CNR2P2RX7CNR1BRD4CREBBP
SCHEMBL20621847 0.88 P2RX7 (0.41) P2RX7BRD4CREBBPALDH1A1TAS1R3
SCHEMBL20600149 0.88 P2RX7 (0.41) P2RX7BRD4CREBBPALDH1A1TAS1R3
SCHEMBL30824229 0.88 P2RX7 (0.41) P2RX7BRD4CREBBPALDH1A1TAS1R3
SCHEMBL20600383 0.88 CNR2 (0.38) CNR2P2RX7CNR1BRD4CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3615527-B1 NEW AZAQUINOLINE DERIVATIVES ELANCO ANIMAL HEALTH GMBH (DE) 2024-03-06 — — EP disclosed
US-11485733-B2 Azaquinoline derivatives BAYER ANIMAL HEALTH GMBH (DE) 2022-11-01 — — US disclosed
US-11485733-B2 Azaquinoline derivatives BAYER ANIMAL HEALTH GMBH (DE) 2022-11-01 — — US disclosed
US-20200131175-A1 NEW AZAQUINOLINE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2020-04-30 — — US disclosed
US-20200131175-A1 NEW AZAQUINOLINE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2020-04-30 — — 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-20200131175-A1 NEW AZAQUINOLINE DERIVATIVES RECQL, H1-5, CHRM1 CNR2 657/4885P2RX7 97/4885CNR1 575/4885
US-11485733-B2 Azaquinoline derivatives RECQL, H1-5, H1-3 CNR2 804/4885P2RX7 72/4885CNR1 637/4885

“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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