SCHEMBL1810656

SCHEMBL1810656

O=C1NCCC12CCCNC2

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.50
OTUD7B Q6GQQ9 1/20 0.40
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SIGMAR1 Q99720 2/20 0.30
MAPKAPK2 P49137 4/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
HTR2A P28223 1/20 0.30

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
SCHEMBL549600 1.00 CRBN (0.50) CRBNOTUD7BALDH1A1CYP1A2CYP3A4
SCHEMBL30633804 1.00 CRBN (0.50) CRBNOTUD7BALDH1A1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL2635465 0.98 CRBN (0.48) CRBNOTUD7BALDH1A1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL2635466 0.98 CRBN (0.48) CRBNOTUD7BALDH1A1CYP1A2CYP3A4
SCHEMBL21238838 0.94 CRBN (0.48) CRBNOTUD7B
SCHEMBL1207857 0.94 CRBN (0.47) CRBNOTUD7BALDH1A1CYP1A2CYP3A4
SCHEMBL12500998 0.92 CRBN (0.55) CRBNOTUD7BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL2635797 0.92 CRBN (0.46) CRBNOTUD7BALDH1A1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL2635798 0.92 CRBN (0.46) CRBNOTUD7BALDH1A1CYP1A2CYP3A4
SCHEMBL21225403 0.90 CRBN (0.44) CRBNOTUD7BALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2493895-B1 N-CONTAINING HETEROARYL DERIVATIVES AS JAK3 KINASE INHIBITORS VECTURA LTD (GB) 2017-04-26 EP disclosed
US-8946257-B2 N-containing heteroaryl derivatives as JAK3 kinase inhibitors VECTURA LIMITED (GB) 2015-02-03 US disclosed
US-20130289015-A1 N-CONTAINING HETEROARYL DERIVATIVES AS JAK3 KINASE INHIBITORS PALAU PHARMA, S.A. 2013-10-31 US disclosed
US-8501735-B2 N-containing heteroaryl derivatives as JAK3 kinase inhibitors PALAU PHARMA, S.A. (ES) 2013-08-06 US disclosed
US-20130131038-A9 N-CONTAINING HETEROARYL DERIVATIVES AS JAK3 KINASE INHIBITORS VECTURA LIMITED (GB) 2013-05-23 US disclosed
US-20120245140-A1 N-CONTAINING HETEROARYL DERIVATIVES AS JAK3 KINASE INHIBITORS ALMANSA ROSALES CARMEN (ES) 2012-09-27 US disclosed
EP-2493895-A1 N-CONTAINING HETEROARYL DERIVATIVES AS JAK3 KINASE INHIBITORS Palau Pharma, S.A. (ES) 2012-09-05 EP disclosed
WO-2011051452-A1 N-CONTAINING HETEROARYL DERIVATIVES AS JAK3 KINASE INHIBITORS PALAU PHARMA, S.A. (ES) 2011-05-05 WO disclosed
WO-2010072823-A1 PYRAZOLE[1,5a]PYRIDINE DERIVATIVES PALAU PHARMA, S. A. (ES) 2010-07-01 WO 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-20130289015-A1 N-CONTAINING HETEROARYL DERIVATIVES AS JAK3 KINASE INHIBITORS JAK3, JAK2, JAK1 CRBN 538/4885OTUD7B 1844/4885ALDH1A1 3830/4885
US-20120245140-A1 N-CONTAINING HETEROARYL DERIVATIVES AS JAK3 KINASE INHIBITORS JAK3, JAK2, JAK1 CRBN 538/4885OTUD7B 1844/4885ALDH1A1 3830/4885
US-20130131038-A9 N-CONTAINING HETEROARYL DERIVATIVES AS JAK3 KINASE INHIBITORS JAK3, JAK2, JAK1 CRBN 538/4885OTUD7B 1844/4885ALDH1A1 3830/4885

“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.