SCHEMBL17583131

SCHEMBL17583131

Cc1ccc(C(F)(F)CN2CCC(NC(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.53
GRIN2B Q13224 1/20 0.46
DRD2 P14416 4/20 0.46
USP14 P54578 1/20 0.44
UBE2M P61081 1/20 0.43
DCUN1D1 Q96GG9 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CCR5 P51681 1/20 0.43
CTSK P43235 2/20 0.43
DRD3 P35462 1/20 0.42
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NAMPT P43490 1/20 0.41
SCN9A Q15858 1/20 0.41

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
SCHEMBL17583109 0.92 KCNA3 (0.53) KCNA3DRD2SCN9A
SCHEMBL17583141 0.91 KCNA3 (0.53) KCNA3GRIN2BDRD2USP14CCR5
SCHEMBL17589161 0.90 USP14 (0.52) KCNA3GRIN2BDRD2USP14UBE2M
SCHEMBL17583152 0.88 KCNA3 (0.50) KCNA3GRIN2BDRD2USP14L3MBTL1
SCHEMBL17589158 0.86 GRIN2B (0.52) KCNA3GRIN2BDRD2USP14CCR5
SCHEMBL17325422 0.85 GRIN2B (0.53) KCNA3GRIN2BDRD2USP14CCR5
SCHEMBL17325402 0.83 GRIN2B (0.52) KCNA3GRIN2BDRD2CCR5CKS1B
SCHEMBL17325429 0.82 GRIN2B (0.52) KCNA3GRIN2BDRD2CKS1BSKP1
SCHEMBL17108791 0.81 CTSK (0.51) KCNA3DRD2USP14L3MBTL1CCR5
SCHEMBL2299641 0.81 CTSK (0.51) KCNA3DRD2CCR5CTSKDRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10420768-B2 Pyrrolopyrimidine derivatives as NR2B NMDA receptor antagonists RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2019-09-24 US disclosed
US-10420768-B2 Pyrrolopyrimidine derivatives as NR2B NMDA receptor antagonists RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2019-09-24 US disclosed
EP-3194403-B1 PYRROLOPYRIMIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS CAYMAN LTD (KY) 2019-02-06 EP disclosed
US-20180303834-A1 PYRROLOPYRIMIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2018-10-25 US disclosed
US-9968610-B2 Pyrrolopyrimidine derivatives as NR2B NMDA receptor antagonists RUGEN HOLDINGS (CAYMAN) LIMITED (US) 2018-05-15 US disclosed
US-9968610-B2 Pyrrolopyrimidine derivatives as NR2B NMDA receptor antagonists RUGEN HOLDINGS (CAYMAN) LIMITED (US) 2018-05-15 US disclosed
US-9968610-B2 Pyrrolopyrimidine derivatives as NR2B NMDA receptor antagonists RUGEN HOLDINGS (CAYMAN) LIMITED (US) 2018-05-15 US disclosed
US-20170209449-A1 PYRROLOPYRIMIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2017-07-27 US disclosed
US-20170209449-A1 PYRROLOPYRIMIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2017-07-27 US disclosed
US-20170209449-A1 PYRROLOPYRIMIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2017-07-27 US disclosed
US-9567341-B2 Pyrrolopyrimidine derivatives as NR2B NMDA receptor antagonists RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2017-02-14 US disclosed
US-9567341-B2 Pyrrolopyrimidine derivatives as NR2B NMDA receptor antagonists RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2017-02-14 US disclosed
US-9567341-B2 Pyrrolopyrimidine derivatives as NR2B NMDA receptor antagonists RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2017-02-14 US disclosed
US-20160075713-A1 PYRROLOPYRIMIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2016-03-17 US disclosed
US-20160075713-A1 PYRROLOPYRIMIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2016-03-17 US 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 (4 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-20170209449-A1 PYRROLOPYRIMIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS GRIN1, GRIN2A, GRIN2B KCNA3 381/4885GRIN2B 3/4885DRD2 208/4885
US-10420768-B2 Pyrrolopyrimidine derivatives as NR2B NMDA receptor antagonists GRIN1, GRIN2A, GRIN2B KCNA3 381/4885GRIN2B 3/4885DRD2 208/4885
US-20160075713-A1 PYRROLOPYRIMIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS GRIN1, GRIN2A, GRIN2B KCNA3 381/4885GRIN2B 3/4885DRD2 208/4885
US-20180303834-A1 PYRROLOPYRIMIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS GRIN1, GRIN2A, GRIN2B KCNA3 381/4885GRIN2B 3/4885DRD2 208/4885

“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.