SCHEMBL664160

SCHEMBL664160

CCCN1CCC(C)(c2nc3ccccc3[nH]2)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.43
PARP1 P09874 2/20 0.42
DRD4 P21917 1/20 0.41
DDAH1 O94760 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
TSHR P16473 1/20 0.41
SLC2A1 P11166 1/20 0.40
EPHX2 P34913 1/20 0.40
ACHE P22303 1/20 0.40
HPGD P15428 1/20 0.39
DRD3 P35462 1/20 0.39
DRD2 P14416 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL665148 0.92 PARP1 (0.50) CHRNA7PARP1DRD4DDAH1HTT
SCHEMBL662958 0.86 DDAH1 (0.43) CHRNA7PARP1DDAH1HTTRAB9A
SCHEMBL6755331 0.81 ALDH1A1 (0.48) PARP1DDAH1HTTRAB9AEPHX2
SCHEMBL663661 0.79 PARP1 (0.45) PARP1DRD4HTTRAB9ATSHR
SCHEMBL665968 0.78 PARP1 (0.59) PARP1RAB9AEPHX2ACHE
SCHEMBL6753927 0.78 BCHE (0.46) PARP1DDAH1HTTRAB9AEPHX2
SCHEMBL665994 0.77 PARP1 (0.58) PARP1DDAH1HTTEPHX2ACHE
SCHEMBL664112 0.76 PARP1 (0.62) PARP1DDAH1HTTEPHX2ACHE
SCHEMBL1299519 0.76 PARP1 (0.54) PARP1DDAH1HTTRAB9ATSHR
SCHEMBL631380 0.76 PARP1 (0.72) PARP1

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-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 CHRNA7 4817/4885PARP1 2/4885DRD4 4619/4885
US-20160324829-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 CHRNA7 4115/4885PARP1 2/4885DRD4 4516/4885
US-20090029966-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 CHRNA7 4115/4885PARP1 2/4885DRD4 4516/4885
US-20150005354-A1 Combination Therapy With Parp Inhibitors PARP2, PARP1, PARP3 CHRNA7 4817/4885PARP1 2/4885DRD4 4619/4885
US-20070265324-A1 Combination Therapy with Parp Inhibitors PARP2, PARP1, PARP3 CHRNA7 4817/4885PARP1 2/4885DRD4 4619/4885
US-20130225647-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 CHRNA7 4817/4885PARP1 2/4885DRD4 4619/4885
US-20080146638-A1 primary small cell lung cancer with veliparib and temozolomide; poly/adp-ribose/polymerase (PARP) PARP1, PARP2, PARP3 CHRNA7 3982/4885PARP1 1/4885DRD4 4136/4885
US-20110152336-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 CHRNA7 4817/4885PARP1 2/4885DRD4 4619/4885
US-20120045524-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 CHRNA7 4817/4885PARP1 2/4885DRD4 4619/4885
US-20060229289-A1 1H-benzimidazole-4-carboxamides substituted with a quaternary carbon at the 2-position are potent PARP inhibitors PARP1, PARP2, PARP4 CHRNA7 4361/4885PARP1 1/4885DRD4 4495/4885
US-20080293795-A1 temozolomide and veliparib for breast cancer PARP1, PARP2, BRCA1 CHRNA7 4078/4885PARP1 1/4885DRD4 4631/4885
US-20080280867-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 CHRNA7 4115/4885PARP1 2/4885DRD4 4516/4885
US-20150005355-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 CHRNA7 4115/4885PARP1 2/4885DRD4 4516/4885
US-20120264795-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP1, PARP2, PARP12 CHRNA7 4069/4885PARP1 1/4885DRD4 3304/4885
US-20120190720-A1 Combination Therapy With Parp Inhibitors PARP2, PARP1, PARP3 CHRNA7 4817/4885PARP1 2/4885DRD4 4619/4885

“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.