SCHEMBL4067665

SCHEMBL4067665

c1ccc(CCCNCc2ccccn2)cc1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.70
▸ KDM4E B2RXH2 1/20 0.58
▸ SIGMAR1 Q99720 7/20 0.58
▸ HPGD P15428 2/20 0.56
▸ SCN8A Q9UQD0 1/20 0.55
▸ ALOX15 P16050 2/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ SIRT2 Q8IXJ6 1/20 0.52
▸ MPO P05164 1/20 0.51
▸ BCHE P06276 1/20 0.51
▸ DRD2 P14416 1/20 0.50
▸ DRD4 P21917 1/20 0.50
▸ DRD3 P35462 1/20 0.50

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
SCHEMBL5707496 0.87 SIGMAR1 (0.65) CHRM2SIGMAR1HPGDALOX15DRD2
SCHEMBL6231722 0.86 CHRM2 (0.85) CHRM2KDM4ESCN8AALOX15SIRT2
SCHEMBL16741961 0.86 CHRM2 (0.92) CHRM2KDM4ESCN8AALOX15SIRT2
SCHEMBL29761156 0.84 CHRM2 (0.66) CHRM2KDM4ESCN8AALOX15TDP1
SCHEMBL9184672 0.84 CHRM2 (0.89) CHRM2KDM4ESCN8AALOX15SIRT2
SCHEMBL9777421 0.82 CHRM2 (0.93) CHRM2KDM4ESCN8AALOX15SIRT2
Hydrochloric Acid SCHEMBL10698987 0.82 CHRM2 (0.86) CHRM2KDM4ESCN8AALOX15SIRT2
SCHEMBL9188072 0.82 CHRM2 (0.86) CHRM2KDM4ESCN8AALOX15SIRT2
SCHEMBL9777408 0.82 CHRM2 (0.86) CHRM2KDM4ESCN8AALOX15SIRT2
SCHEMBL348655 0.82 CHRM2 (0.78) CHRM2KDM4ESCN8AALOX15SIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1415986-B1 SPIRO ISOBENZOFURANES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS BANYU PHARMA CO LTD (JP) 2009-04-08 — — EP disclosed
US-7205417-B2 Spiro compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-04-17 — — US disclosed
US-20040259890-A1 Spiro compounds MSD K.K. (JP) 2004-12-23 — — US disclosed
EP-1415986-A1 SPIRO COMPOUNDS BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 — — EP 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-20040259890-A1 Spiro compounds OPRD1, PER2, OPRK1 CHRM2 128/4885KDM4E 2787/4885SIGMAR1 53/4885

“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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