SCHEMBL20600326

SCHEMBL20600326

O=C(N[C@H]1CCOc2ccccc21)c1cnc2c(-c3cccc(Cl)c3Cl)ccnc2c1Cl

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 6/20 0.44
▸ TRPV1 Q8NER1 1/20 0.41
▸ BRD4 O60885 2/20 0.41
▸ CREBBP Q92793 2/20 0.41
▸ MAPK1 P28482 3/20 0.39
▸ TAS1R3 Q7RTX0 5/20 0.38
▸ TAS1R1 Q7RTX1 5/20 0.38
▸ TAS1R2 Q8TE23 5/20 0.38
▸ ALDH1A1 P00352 1/20 0.37

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
SCHEMBL30824208 1.00 P2RX7 (0.44) P2RX7TRPV1BRD4CREBBPMAPK1
SCHEMBL29438299 0.91 P2RX7 (0.40) P2RX7TRPV1BRD4CREBBPMAPK1
SCHEMBL20600369 0.91 P2RX7 (0.40) P2RX7TRPV1BRD4CREBBPMAPK1
SCHEMBL20600149 0.89 P2RX7 (0.41) P2RX7TRPV1BRD4CREBBPMAPK1
SCHEMBL30824229 0.89 P2RX7 (0.41) P2RX7TRPV1BRD4CREBBPMAPK1
SCHEMBL20621847 0.89 P2RX7 (0.41) P2RX7TRPV1BRD4CREBBPMAPK1
SCHEMBL29438334 0.89 P2RX7 (0.39) P2RX7TRPV1BRD4CREBBPMAPK1
SCHEMBL20600069 0.89 P2RX7 (0.39) P2RX7TRPV1BRD4CREBBPMAPK1
SCHEMBL20600366 0.86 P2RX7 (0.41) P2RX7TRPV1BRD4CREBBPMAPK1
SCHEMBL30824231 0.86 P2RX7 (0.41) P2RX7TRPV1BRD4CREBBPMAPK1

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 17 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
EP-3897843-A1 BICYCLIC DERIVATIVES Elanco Tiergesundheit AG (CH) 2021-10-27 — — EP claimed
CN-113474044-A Bicyclic derivatives 瑞士伊兰科动物保健有限公司 2021-10-01 — — CN claimed
WO-2020131629-A1 BICYCLIC DERIVATIVES ELANCO TIERGESUNDHEIT AG (CH) 2020-06-25 — — WO claimed
EP-3615527-B1 NEW AZAQUINOLINE DERIVATIVES ELANCO ANIMAL HEALTH GMBH (DE) 2024-03-06 — — EP disclosed
CN-110770227-B Novel azaquinoline derivatives 拜耳动物保健有限责任公司 2024-03-01 — — CN 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-20220064160-A1 BICYCLIC DERIVATIVES ELANCO TIERGESUNDHEIT AG (US) 2022-03-03 — — US disclosed
EP-3897843-A1 BICYCLIC DERIVATIVES Elanco Tiergesundheit AG (CH) 2021-10-27 — — EP disclosed
CN-113474044-A Bicyclic derivatives 瑞士伊兰科动物保健有限公司 2021-10-01 — — CN disclosed
WO-2020131629-A1 BICYCLIC DERIVATIVES ELANCO TIERGESUNDHEIT AG (CH) 2020-06-25 — — WO 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
EP-3615527-A1 NEW AZAQUINOLINE DERIVATIVES Bayer Animal Health GmbH (DE) 2020-03-04 — — EP disclosed
CN-110770227-A Novel azaquinoline derivatives 拜耳动物保健有限责任公司 2020-02-07 — — CN disclosed
WO-2019002132-A1 NEW AZAQUINOLINE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2019-01-03 — — WO 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 (3 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 P2RX7 97/4885TRPV1 2907/4885BRD4 935/4885
US-11485733-B2 Azaquinoline derivatives RECQL, H1-5, H1-3 P2RX7 72/4885TRPV1 2423/4885BRD4 1125/4885
US-20220064160-A1 BICYCLIC DERIVATIVES FABP3, CYCS, PIGS P2RX7 803/4885TRPV1 728/4885BRD4 125/4885

“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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