SCHEMBL22367368

SCHEMBL22367368

CCNc1ccc2c(n1)N(C)CCNC2=O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 13/20 0.40
SLC6A2 P23975 4/20 0.39
PARP1 P09874 6/20 0.38
PARP2 Q9UGN5 2/20 0.38
PRKD1 Q15139 1/20 0.36
PRKD2 Q9BZL6 1/20 0.36

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
SCHEMBL19553365 0.78 CACNA2D1 (0.52) CACNA2D1SLC6A2
SCHEMBL22442223 0.77 PARP1 (0.46) PARP1PARP2
SCHEMBL22367385 0.76 PARP1 (0.42) PARP1
SCHEMBL22442230 0.76 PARP1 (0.42) PARP1
SCHEMBL19553277 0.75 CACNA2D1 (0.45) CACNA2D1SLC6A2PARP1PARP2PRKD1
SCHEMBL22367404 0.74 ALOX5 (0.43) CACNA2D1SLC6A2PARP1
SCHEMBL22442238 0.74 PARP1 (0.40) CACNA2D1SLC6A2PARP1
SCHEMBL22367322 0.73 PARP10 (0.40) CACNA2D1SLC6A2PARP1
SCHEMBL22367242 0.70 PARP1 (0.46) PARP1
SCHEMBL24026709 0.68 CACNA2D1 (0.61) CACNA2D1SLC6A2

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-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 CACNA2D1 10/4885SLC6A2 28/4885PARP1 2628/4885
US-11401270-B2 Alcoxyamino derivatives for treating pain and pain related conditions CACNA1B, CACNA1G, CACNA2D2 CACNA2D1 9/4885SLC6A2 22/4885PARP1 2206/4885

“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.