SCHEMBL1799266

SCHEMBL1799266

C1COCCN(C2CCC3(CC2)OCCO3)C1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.39
L3MBTL3 Q96JM7 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 2/20 0.35
PARP1 P09874 1/20 0.34
HRH3 Q9Y5N1 9/20 0.34
AVPR1A P37288 1/20 0.33
KCNH2 Q12809 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL1800548 0.93 OPRL1 (0.45) OPRL1L3MBTL1L3MBTL3SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL3970067 0.91 OPRL1 (0.46) OPRL1L3MBTL1L3MBTL3SMN1; SMN2ALDH1A1
SCHEMBL18923991 0.87 L3MBTL3 (0.42) OPRL1L3MBTL1L3MBTL3ALDH1A1PARP1
SCHEMBL20160889 0.87 L3MBTL3 (0.39) OPRL1L3MBTL1L3MBTL3ALDH1A1PARP1
SCHEMBL19958761 0.85 L3MBTL3 (0.41) OPRL1L3MBTL1L3MBTL3ALDH1A1PARP1
SCHEMBL16374578 0.85 L3MBTL3 (0.41) OPRL1L3MBTL1L3MBTL3ALDH1A1PARP1
SCHEMBL26025479 0.78 SMN1; SMN2 (0.48) OPRL1L3MBTL1L3MBTL3SMN1; SMN2ALDH1A1
SCHEMBL25352333 0.77 HRH3 (0.45) L3MBTL1L3MBTL3ALDH1A1HRH3
SCHEMBL3307369 0.76 OPRL1 (0.42) OPRL1L3MBTL1L3MBTL3SMN1; SMN2ALDH1A1
SCHEMBL25187419 0.76 L3MBTL3 (0.40) L3MBTL1L3MBTL3ALDH1A1HRH3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2109611-B1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MAN CO LTD (JP) 2015-01-07 EP disclosed
US-8178552-B2 7-Azaindole derivatives and their use in the inhibition of c-Jun N-terminal kinase EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-05-15 US disclosed
US-8178552-B2 7-Azaindole derivatives and their use in the inhibition of c-Jun N-terminal kinase EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-05-15 US disclosed
US-8178552-B2 7-Azaindole derivatives and their use in the inhibition of c-Jun N-terminal kinase EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-05-15 US disclosed
US-20110195951-A1 DIAZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-08-11 US disclosed
US-20110195951-A1 DIAZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-08-11 US disclosed
US-20110195951-A1 DIAZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-08-11 US disclosed
US-7951802-B2 Use of 7-azaindoles in the inhibition of c-Jun N-terminal kinase EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-05-31 US disclosed
US-7951802-B2 Use of 7-azaindoles in the inhibition of c-Jun N-terminal kinase EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-05-31 US disclosed
US-7951802-B2 Use of 7-azaindoles in the inhibition of c-Jun N-terminal kinase EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-05-31 US disclosed
US-20100069354-A1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-18 US disclosed
US-20100069354-A1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-18 US disclosed
US-20100069354-A1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-18 US disclosed
US-20100069358-A1 USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-18 US disclosed
US-20100069358-A1 USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-18 US disclosed
US-20100069358-A1 USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-18 US disclosed
WO-2010015803-A1 DIAZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R & D MANAGEMENT CO. LTD (JP) 2010-02-11 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-20110195951-A1 DIAZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE DAPK1, DAPK2, DAPK3 OPRL1 2545/4885L3MBTL1 768/4885L3MBTL3 745/4885
US-20100069354-A1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE MAPK7, MAPK13, MAPKAPK5 OPRL1 4016/4885L3MBTL1 4739/4885L3MBTL3 4567/4885
US-20100069358-A1 USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE MAPK7, MAPKAPK5, MAPK13 OPRL1 4007/4885L3MBTL1 4629/4885L3MBTL3 4480/4885

“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.