SCHEMBL22367404

SCHEMBL22367404

COc1ccc2c(n1)N(C)CCNC2=O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.43
PARP1 P09874 12/20 0.40
BRD9 Q9H8M2 1/20 0.36
BRD7 Q9NPI1 1/20 0.36
SLC6A2 P23975 2/20 0.35
CACNA2D1 P54289 2/20 0.35
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
GRM5 P41594 1/20 0.34

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
SCHEMBL22442223 0.81 PARP1 (0.46) ALOX5PARP1
SCHEMBL22442230 0.79 PARP1 (0.42) PARP1
SCHEMBL22367385 0.79 PARP1 (0.42) ALOX5PARP1HTR2AHTR2CHTR2B
SCHEMBL22442238 0.77 PARP1 (0.40) PARP1SLC6A2CACNA2D1
SCHEMBL22367322 0.76 PARP10 (0.40) PARP1SLC6A2CACNA2D1TNKSTNKS2
SCHEMBL19564595 0.76 PRKD1 (0.40) PARP1SLC6A2CACNA2D1HTR2A
SCHEMBL22367368 0.74 CACNA2D1 (0.40) PARP1SLC6A2CACNA2D1
SCHEMBL22367242 0.73 PARP1 (0.46) PARP1TNKS2
SCHEMBL10008159 0.73 GRM5 (0.53) ALOX5PARP1GRM5
SCHEMBL23778811 0.70 PARP1 (0.36) ALOX5PARP1SLC6A2CACNA2D1

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 ALOX5 1027/4885PARP1 2628/4885BRD9 4035/4885
US-11401270-B2 Alcoxyamino derivatives for treating pain and pain related conditions CACNA1B, CACNA1G, CACNA2D2 ALOX5 1107/4885PARP1 2206/4885BRD9 3832/4885

“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.