SCHEMBL22367276

SCHEMBL22367276

O=C1NCCCn2nccc21

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
CDC7 O00311 1/20 0.41
RPS6KA3 P51812 13/20 0.38
RPS6KA2 Q15349 8/20 0.34
PARP1 P09874 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL4207853 0.89 CDC7 (0.50) ALDH1A1GAACDC7RPS6KA3PARP1
SCHEMBL31207898 0.77
Hydrochloric Acid SCHEMBL2954628 0.71 MEN1 (0.31)
SCHEMBL14251266 0.70 ALDH1A1 (0.50) ALDH1A1GAACDC7RPS6KA3RPS6KA2
SCHEMBL31460144 0.70 CDC7 (0.48) ALDH1A1GAACDC7RPS6KA3RPS6KA2
SCHEMBL5000027 0.69 CDC7 (0.83) CDC7RPS6KA3RPS6KA2
SCHEMBL15332872 0.68 CDC7 (0.46) ALDH1A1GAACDC7RPS6KA3RPS6KA2
SCHEMBL2555160 0.68 KDM4E (0.48) ALDH1A1CDC7RPS6KA3RPS6KA2PARP1
SCHEMBL19253533 0.68 GABRG2 (0.31)
SCHEMBL25433466 0.67 CDC7 (0.51) CDC7RPS6KA3RPS6KA2PARP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3700890-A1 NEW ALCOXYAMINO DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-09-02 EP claimed
US-11401270-B2 Alcoxyamino derivatives for treating pain and pain related conditions ESTEVE PHARMACEUTICALS, S.A. (ES) 2022-08-02 US disclosed
EP-3700890-B1 ALCOXYAMINO DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS SA (ES) 2021-11-17 EP disclosed
EP-3700890-B1 ALCOXYAMINO DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS SA (ES) 2021-11-17 EP disclosed
US-20200299297-A1 NEW ALCOXYAMINO DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-09-24 US disclosed
US-20200299297-A1 NEW ALCOXYAMINO DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-09-24 US disclosed
EP-3700890-A1 NEW ALCOXYAMINO DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-09-02 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 (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-20200299297-A1 NEW ALCOXYAMINO DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS CACNA1B, CACNB2, CACNA1G ALDH1A1 771/4885GAA 1057/4885CDC7 4012/4885
US-11401270-B2 Alcoxyamino derivatives for treating pain and pain related conditions CACNA1B, CACNA1G, CACNA2D2 ALDH1A1 713/4885GAA 951/4885CDC7 3935/4885

“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.