SCHEMBL664112

SCHEMBL664112

CCCN1CCCCC1(C)c1nc2ccccc2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.62
HTT P42858 2/20 0.41
BCHE P06276 3/20 0.41
ACHE P22303 3/20 0.41
TRPC3 Q13507 1/20 0.39
TRPC4 Q9UBN4 1/20 0.39
TRPC5 Q9UL62 1/20 0.39
DDAH1 O94760 1/20 0.38
EPHX2 P34913 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LTA4H P09960 1/20 0.37
HTR3A P46098 1/20 0.36
HRH4 Q9H3N8 1/20 0.36

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
SCHEMBL665994 0.96 PARP1 (0.58) PARP1HTTBCHEACHEDDAH1
SCHEMBL665107 0.86 PARP1 (0.47) PARP1HTTBCHEACHEDDAH1
SCHEMBL665171 0.79 PARP1 (0.58) PARP1HTTBCHEACHETRPC3
SCHEMBL630284 0.77 PARP1 (1.00) PARP1
SCHEMBL664160 0.76 CHRNA7 (0.43) PARP1HTTACHEDDAH1EPHX2
SCHEMBL665148 0.74 PARP1 (0.50) PARP1HTTACHEDDAH1EPHX2
SCHEMBL665626 0.73 PARP1 (0.60) PARP1HTTBCHEACHE
SCHEMBL662958 0.73 DDAH1 (0.43) PARP1HTTBCHEACHETRPC3
SCHEMBL6753927 0.72 BCHE (0.46) PARP1HTTBCHEACHEDDAH1
SCHEMBL19954967 0.71 HCRTR1 (0.51)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160324829-A1 COMBINATION THERAPY WITH PARP INHIBITORS ABBVIE INC. (US) 2016-11-10 US disclosed
US-20150005355-A1 COMBINATION THERAPY WITH PARP INHIBITORS ABBVIE INC. 2015-01-01 US disclosed
US-20150005354-A1 Combination Therapy With Parp Inhibitors ABBVIE INC. 2015-01-01 US disclosed
US-20130225647-A1 COMBINATION THERAPY WITH PARP INHIBITORS ABBVIE INC. (US) 2013-08-29 US disclosed
US-20120264795-A1 COMBINATION THERAPY WITH PARP INHIBITORS ABBVIE INC. 2012-10-18 US disclosed
US-20120190720-A1 Combination Therapy With Parp Inhibitors ABBOTT LABORATORIES (US) 2012-07-26 US disclosed
US-20120045524-A1 COMBINATION THERAPY WITH PARP INHIBITORS ABBOTT LABORATORIES (US) 2012-02-23 US disclosed
US-20110151023-A1 COMBINATION THERAPY WITH PARP INHIBITORS ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
US-20110152336-A1 COMBINATION THERAPY WITH PARP INHIBITORS ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
US-7550603-B2 1H-benzimidazole-4-carboxamides substituted with a quaternary carbon at the 2-position are potent PARP inhibitors ABBOTT LABORATORIES INC. (US) 2009-06-23 US disclosed
US-20090029966-A1 COMBINATION THERAPY WITH PARP INHIBITORS ABBOTT LABORATORIES (US) 2009-01-29 US disclosed
US-20080293795-A1 temozolomide and veliparib for breast cancer ABBOTT LABORATORIES 2008-11-27 US disclosed
US-20080280867-A1 COMBINATION THERAPY WITH PARP INHIBITORS ABBOTT LABORATORIES (US) 2008-11-13 US disclosed
US-20080146638-A1 primary small cell lung cancer with veliparib and temozolomide; poly/adp-ribose/polymerase (PARP) ABBOTT LABORATORIES (US) 2008-06-19 US disclosed
US-20070265324-A1 Combination Therapy with Parp Inhibitors ABBOTT LABORATORIES 2007-11-15 US disclosed
US-20060229289-A1 1H-benzimidazole-4-carboxamides substituted with a quaternary carbon at the 2-position are potent PARP inhibitors ABBVIE INC. 2006-10-12 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 (15 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-20110151023-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 PARP1 2/4885HTT 4610/4885BCHE 4636/4885
US-20160324829-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 PARP1 2/4885HTT 4048/4885BCHE 4464/4885
US-20090029966-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 PARP1 2/4885HTT 4048/4885BCHE 4464/4885
US-20150005354-A1 Combination Therapy With Parp Inhibitors PARP2, PARP1, PARP3 PARP1 2/4885HTT 4610/4885BCHE 4636/4885
US-20070265324-A1 Combination Therapy with Parp Inhibitors PARP2, PARP1, PARP3 PARP1 2/4885HTT 4610/4885BCHE 4636/4885
US-20130225647-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 PARP1 2/4885HTT 4610/4885BCHE 4636/4885
US-20080146638-A1 primary small cell lung cancer with veliparib and temozolomide; poly/adp-ribose/polymerase (PARP) PARP1, PARP2, PARP3 PARP1 1/4885HTT 4641/4885BCHE 4415/4885
US-20110152336-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 PARP1 2/4885HTT 4610/4885BCHE 4636/4885
US-20120045524-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 PARP1 2/4885HTT 4610/4885BCHE 4636/4885
US-20060229289-A1 1H-benzimidazole-4-carboxamides substituted with a quaternary carbon at the 2-position are potent PARP inhibitors PARP1, PARP2, PARP4 PARP1 1/4885HTT 3787/4885BCHE 3801/4885
US-20080293795-A1 temozolomide and veliparib for breast cancer PARP1, PARP2, BRCA1 PARP1 1/4885HTT 4293/4885BCHE 3231/4885
US-20080280867-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 PARP1 2/4885HTT 4048/4885BCHE 4464/4885
US-20150005355-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 PARP1 2/4885HTT 4048/4885BCHE 4464/4885
US-20120264795-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP1, PARP2, PARP12 PARP1 1/4885HTT 3824/4885BCHE 3889/4885
US-20120190720-A1 Combination Therapy With Parp Inhibitors PARP2, PARP1, PARP3 PARP1 2/4885HTT 4610/4885BCHE 4636/4885

“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.