SCHEMBL3969710

SCHEMBL3969710

NC(=O)c1ccc(O[C@@H]2C[C@H]3CC[C@@H](C2)N3)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 3/20 0.64
SLC6A4 P31645 11/20 0.59
SLC6A2 P23975 8/20 0.59
SLC6A3 Q01959 8/20 0.59
SENP8 Q96LD8 1/20 0.58
SENP6 Q9GZR1 1/20 0.58
OPRK1 P41145 1/20 0.52
KCNH2 Q12809 1/20 0.52
MAP4K4 O95819 1/20 0.51
CHRNA7 P36544 1/20 0.48
PARP15 Q460N3 2/20 0.46
PARP2 Q9UGN5 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
PARP14 Q460N5 1/20 0.46
PARP16 Q8N5Y8 1/20 0.46
PARP11 Q9NR21 1/20 0.46
PARP4 Q9UKK3 1/20 0.46
FURIN P09958 1/20 0.45

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
SCHEMBL12875463 0.82 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3CHRNA7KMT2A
Hydrochloric Acid SCHEMBL1164515 0.81 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3CHRNA7KMT2A
Hydrochloric Acid SCHEMBL1164513 0.81 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3CHRNA7KMT2A
SCHEMBL3028371 0.78 PARP10 (0.93) PARP10SENP8SENP6OPRK1KCNH2
SCHEMBL4798997 0.78 PARP10 (0.73) PARP10SENP8SENP6OPRK1KCNH2
SCHEMBL9596396 0.77 PARP10 (0.67) PARP10SLC6A4SLC6A2SLC6A3SENP8
SCHEMBL19381882 0.77 PARP10 (0.90) PARP10SENP8SENP6OPRK1KCNH2
Hydrochloric Acid SCHEMBL3636392 0.76 PARP10 (0.71) PARP10SENP8SENP6OPRK1KCNH2
SCHEMBL4176017 0.76 OPRK1 (0.71) PARP10SLC6A2SLC6A3SENP8SENP6
SCHEMBL3960825 0.76 OPRK1 (0.71) PARP10SLC6A2SLC6A3SENP8SENP6

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-8357686-B2 Aryl-substituted polycyclic amines, method for the production thereof, and use thereof as a medicament SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2013-01-22 US disclosed
US-20090258881-A1 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-10-15 US disclosed
US-20090258872-A1 USE OF ARYL-SUBSTITUTED POLYCYCLIC AMINES AS MEDICAMENTS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-10-15 US disclosed
US-7569583-B2 Aryl-substituted polycyclic amines, method for the production thereof, and use thereof as a medicament SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-08-04 US disclosed
EP-1781656-B1 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT SANOFI AVENTIS DEUTSCHLAND (DE) 2007-12-19 EP disclosed
US-20070197584-A1 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-23 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 (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-20070197584-A1 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT PAH, NAT1, AADAT PARP10 2175/4885SLC6A4 250/4885SLC6A2 118/4885
US-20090258872-A1 USE OF ARYL-SUBSTITUTED POLYCYCLIC AMINES AS MEDICAMENTS AADAT, NAT1, OAT PARP10 2121/4885SLC6A4 307/4885SLC6A2 74/4885
US-20090258881-A1 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT PAH, NAT1, AADAT PARP10 2175/4885SLC6A4 250/4885SLC6A2 118/4885

“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.