SCHEMBL22367242

SCHEMBL22367242

CN1CCNC(=O)c2cccnc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 11/20 0.46
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
MAPK1 P28482 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
PDE3A Q14432 1/20 0.42
TNKS2 Q9H2K2 1/20 0.40
PARP10 Q53GL7 2/20 0.39
PARP11 Q9NR21 2/20 0.39
PDPK1 O15530 1/20 0.39
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CYP2D6 P10635 1/20 0.38
CHRM1 P11229 1/20 0.38

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
SCHEMBL22367476 0.77 PARP1 (0.43) PARP1ALDH1A1LMNAPOLBADORA3
SCHEMBL19643828 0.77 LMNA (0.41) LMNATNKS2CYP1A2CHRM2CHRM1
SCHEMBL22442223 0.76 PARP1 (0.46) PARP1PARP10PARP11
SCHEMBL12405333 0.76 MEN1 (0.38) POLB
SCHEMBL22367385 0.75 PARP1 (0.42) PARP1PARP10PARP11
SCHEMBL22442230 0.75 PARP1 (0.42) PARP1
SCHEMBL16349626 0.75 PARP1 (0.46) PARP1PARP10PARP11PDPK1
SCHEMBL24117656 0.74 ALOX5 (0.45) PARP1ALDH1A1CYP1A2
SCHEMBL20614952 0.74 TNKS (0.40) PARP1LMNATNKS2CYP1A2CHRM2
SCHEMBL22367362 0.74 PARP1 (0.37) PARP1ALDH1A1

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 8 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
US-20210395249-A1 NEW ALKOXYAMINOPYRIDINE DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS, S.A. (ES) 2021-12-23 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
EP-3873901-A1 NEW ALCOXYAMINOPYRIDINE DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS, S.A. (ES) 2021-09-08 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 (3 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-20210395249-A1 NEW ALKOXYAMINOPYRIDINE DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS CACNA1B, CACNA1G, CACNA1D PARP1 1722/4885ALDH1A1 764/4885LMNA 1983/4885
US-20200299297-A1 NEW ALCOXYAMINO DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS CACNA1B, CACNB2, CACNA1G PARP1 2628/4885ALDH1A1 771/4885LMNA 1962/4885
US-11401270-B2 Alcoxyamino derivatives for treating pain and pain related conditions CACNA1B, CACNA1G, CACNA2D2 PARP1 2206/4885ALDH1A1 713/4885LMNA 1803/4885

“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.