SCHEMBL13533076

SCHEMBL13533076

O=c1ccc(N2CCNCC2)nn1CCN1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 7/20 0.54
▸ HTR2A P28223 3/20 0.54
▸ HTR2B P41595 1/20 0.39
▸ PDE3B Q13370 1/20 0.39
▸ PDE3A Q14432 1/20 0.39

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
SCHEMBL10073693 0.80 HTR2C (0.45) HTR2CHTR2A
SCHEMBL5088833 0.75 KDM4E (0.46) —
SCHEMBL10074091 0.73 HTR2C (0.54) HTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL5088819 0.73 KDM4E (0.45) —
SCHEMBL13534595 0.73 MEN1 (0.57) —
SCHEMBL29214699 0.72 MET (0.58) HTR2CHTR2A
SCHEMBL4940025 0.72 HTR2C (0.48) HTR2CHTR2AHTR2B
SCHEMBL13533715 0.72 HTR2C (0.52) HTR2CHTR2AHTR2B
SCHEMBL10073890 0.70 HTR2C (0.53) HTR2CHTR2A
SCHEMBL21423998 0.70 BPTF (0.62) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071590-B2 9-substituted-5-carboxy-oxadiazino-quinolone derivatives, their preparation and their application as anti-bacterials VETOQUINOL SA (FR) 2011-12-06 — — US disclosed
US-8071590-B2 9-substituted-5-carboxy-oxadiazino-quinolone derivatives, their preparation and their application as anti-bacterials VETOQUINOL SA (FR) 2011-12-06 — — US disclosed
EP-2145891-A1 9-substituted-5-carboxy-oxadiazino-quinolone derivatives, their preparation and their application as anti-bacterials VETOQUINOL S.A. (FR) 2010-01-20 — — EP disclosed
WO-2010004394-A1 9-SUBSTITUTED-B-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS VETOQUINOL SA (FR) 2010-01-14 — — WO disclosed
US-20100009980-A1 NOVEL 9-SUBSTITUTED-5-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS VETOQUINOL SA (FR) 2010-01-14 — — US disclosed
US-20100009980-A1 NOVEL 9-SUBSTITUTED-5-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS VETOQUINOL SA (FR) 2010-01-14 — — 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-20100009980-A1 NOVEL 9-SUBSTITUTED-5-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS Q6ZSR9, NQO2, RECQL HTR2C 3559/4885HTR2A 4321/4885HTR2B 2880/4885

“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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