SCHEMBL665148

SCHEMBL665148

CCCN1CCC(C)(c2nc3ccccc3[nH]2)C1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.50
HTT P42858 1/20 0.39
DDAH1 O94760 1/20 0.39
ACHE P22303 1/20 0.39
CHRNA7 P36544 1/20 0.39
EPHX2 P34913 1/20 0.39
HPGD P15428 1/20 0.38
DRD4 P21917 2/20 0.37
NPY5R Q15761 1/20 0.37
HTR3A P46098 1/20 0.37
HRH4 Q9H3N8 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
SCHEMBL664160 0.92 CHRNA7 (0.43) PARP1HTTDDAH1ACHECHRNA7
SCHEMBL662958 0.90 DDAH1 (0.43) PARP1HTTDDAH1ACHECHRNA7
SCHEMBL663661 0.84 PARP1 (0.45) PARP1HTTHPGDDRD4
SCHEMBL663733 0.77 PARP1 (0.60) PARP1ACHEEPHX2HTR3A
SCHEMBL631315 0.77 PARP1 (0.79) PARP1
SCHEMBL6755331 0.76 ALDH1A1 (0.48) PARP1HTTDDAH1ACHEEPHX2
SCHEMBL662573 0.75 RAB9A (0.43) PARP1HTTDDAH1EPHX2HPGD
SCHEMBL665994 0.75 PARP1 (0.58) PARP1HTTDDAH1ACHEEPHX2
SCHEMBL664112 0.74 PARP1 (0.62) PARP1HTTDDAH1ACHEEPHX2
SCHEMBL665968 0.74 PARP1 (0.59) PARP1ACHEEPHX2HTR3A

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-20150005354-A1 Combination Therapy With Parp Inhibitors ABBVIE INC. 2015-01-01 US disclosed
US-20150005355-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-20110152336-A1 COMBINATION THERAPY WITH PARP INHIBITORS ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
US-20110151023-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 4610/4885DDAH1 3114/4885
US-20160324829-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 PARP1 2/4885HTT 4048/4885DDAH1 2624/4885
US-20090029966-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 PARP1 2/4885HTT 4048/4885DDAH1 2624/4885
US-20150005354-A1 Combination Therapy With Parp Inhibitors PARP2, PARP1, PARP3 PARP1 2/4885HTT 4610/4885DDAH1 3114/4885
US-20070265324-A1 Combination Therapy with Parp Inhibitors PARP2, PARP1, PARP3 PARP1 2/4885HTT 4610/4885DDAH1 3114/4885
US-20130225647-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 PARP1 2/4885HTT 4610/4885DDAH1 3114/4885
US-20080146638-A1 primary small cell lung cancer with veliparib and temozolomide; poly/adp-ribose/polymerase (PARP) PARP1, PARP2, PARP3 PARP1 1/4885HTT 4641/4885DDAH1 2937/4885
US-20110152336-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 PARP1 2/4885HTT 4610/4885DDAH1 3114/4885
US-20120045524-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 PARP1 2/4885HTT 4610/4885DDAH1 3114/4885
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 3787/4885DDAH1 2015/4885
US-20080293795-A1 temozolomide and veliparib for breast cancer PARP1, PARP2, BRCA1 PARP1 1/4885HTT 4293/4885DDAH1 3236/4885
US-20080280867-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 PARP1 2/4885HTT 4048/4885DDAH1 2624/4885
US-20150005355-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 PARP1 2/4885HTT 4048/4885DDAH1 2624/4885
US-20120264795-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP1, PARP2, PARP12 PARP1 1/4885HTT 3824/4885DDAH1 2396/4885
US-20120190720-A1 Combination Therapy With Parp Inhibitors PARP2, PARP1, PARP3 PARP1 2/4885HTT 4610/4885DDAH1 3114/4885

“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.