SCHEMBL4513293

SCHEMBL4513293

O=[N+]([O-])c1ccccc1N1CC2CC1CN2Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
HDAC1 Q13547 1/20 0.40
POLB P06746 1/20 0.39
PARP1 P09874 1/20 0.39
KMT2A Q03164 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
SIGMAR1 Q99720 6/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GSK3B P49841 1/20 0.38
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL18111982 0.86 LMNA (0.39) MAPK1LMNAHTTHDAC1PARP1
SCHEMBL16371471 0.86 LMNA (0.39) MAPK1LMNAHTTHDAC1PARP1
SCHEMBL7081533 0.82 PARP1 (0.57) MAPK1LMNAHDAC1POLBPARP1
SCHEMBL3434229 0.81 SIRT2 (0.44) MAPK1LMNAHTTKMT2ASIRT2
SCHEMBL5495641 0.80 MCHR1 (0.46) LMNAPOLBKMT2AL3MBTL1ALDH1A1
SCHEMBL9142672 0.79 CHRNA7 (0.45) LMNAHTTPOLBPARP1KMT2A
SCHEMBL5495222 0.79 SIGMAR1 (0.42) HDAC1JAK2JAK1SIGMAR1
SCHEMBL9142665 0.79 CHRNA7 (0.45) LMNAHTTPOLBPARP1KMT2A
SCHEMBL9142677 0.79 CHRNA7 (0.45) LMNAHTTPOLBPARP1KMT2A
SCHEMBL4506882 0.78 HDAC1 (0.51) HDAC1SIRT1JAK2JAK1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7560460-B2 Substituted piperazines and methods of use AMGEN INC. (US) 2009-07-14 US disclosed
EP-1417190-B1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-10-22 EP disclosed
US-20070265248-A1 Substituted piperazines and methods of use AMGEN INC. (US) 2007-11-15 US disclosed
EP-1757608-A1 New benzazepine derivatives, medicaments containing the same and their use in the preparation of medicaments Sanochemia Pharmazeutika Aktiengesellschaft (AT) 2007-02-28 EP disclosed
US-7115607-B2 Substituted piperazinyl amides and methods of use AMGEN INC. (US) 2006-10-03 US disclosed
US-7101890-B2 Benzazepine derivatives, drugs containing these and use of the same for producing drugs SANOCHEMIA LTD. (MT) 2006-09-05 US disclosed
US-20040067974-A1 New benzazepine derivatives, drugs containing these and use of the same for producing drugs SANOCHEMIA LTD. (MT) 2004-04-08 US disclosed
US-20030220324-A1 Substituted piperazines and methods of use AMGEN INC. 2003-11-27 US disclosed
US-6638925-B2 In particular benzofuro(3a,3,2,ef)(2)benzazepin; treatment of Alzheimer's disease and related dementia conditions, Langdon-Down syndrome SANOCHEMIA LTD. (MT) 2003-10-28 US disclosed
US-20030092700-A1 BENZAZEPINE DERIVATIVES, MEDICAMENTS CONTAINING THE SAME AND THEIR USE TO PREPARE MEDICAMENTS SANOCHEMIA LTD. (MT) 2003-05-15 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-20030220324-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R MAPK1 2191/4885LMNA 3009/4885HTT 497/4885
US-20030092700-A1 BENZAZEPINE DERIVATIVES, MEDICAMENTS CONTAINING THE SAME AND THEIR USE TO PREPARE MEDICAMENTS PSEN2, BACE2, BACE1 MAPK1 3526/4885LMNA 270/4885HTT 1559/4885
US-20070265248-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R MAPK1 2191/4885LMNA 3009/4885HTT 497/4885
US-20040067974-A1 New benzazepine derivatives, drugs containing these and use of the same for producing drugs BACE2, PSEN2, BACE1 MAPK1 3452/4885LMNA 386/4885HTT 1414/4885

“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.