SCHEMBL662573

SCHEMBL662573

CC(C)CN1CC(C)(c2nc3ccccc3[nH]2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
TAAR1 Q96RJ0 1/20 0.42
POLB P06746 2/20 0.41
NPC1 O15118 2/20 0.41
PARP1 P09874 1/20 0.40
HTT P42858 2/20 0.39
DDAH1 O94760 1/20 0.39
MAPT P10636 2/20 0.38
KDM4E B2RXH2 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
EPHX2 P34913 1/20 0.38
NR3C2 P08235 1/20 0.38
HPGD P15428 1/20 0.37
BACE1 P56817 1/20 0.37
CYP2D6 P10635 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
SCHEMBL663661 0.90 PARP1 (0.45) RAB9ASMN1; SMN2TAAR1POLBNPC1
SCHEMBL662958 0.82 DDAH1 (0.43) RAB9ASMN1; SMN2NPC1PARP1HTT
SCHEMBL6755331 0.76 ALDH1A1 (0.48) RAB9ASMN1; SMN2POLBNPC1PARP1
SCHEMBL665148 0.75 PARP1 (0.50) PARP1HTTDDAH1EPHX2HPGD
SCHEMBL663733 0.75 PARP1 (0.60) RAB9ASMN1; SMN2POLBPARP1EPHX2
SCHEMBL665968 0.74 PARP1 (0.59) RAB9ASMN1; SMN2POLBPARP1EPHX2
SCHEMBL6753927 0.73 BCHE (0.46) RAB9ASMN1; SMN2POLBNPC1PARP1
SCHEMBL663093 0.73 PARP1 (0.45) RAB9ASMN1; SMN2POLBNPC1PARP1
SCHEMBL665230 0.73 PARP1 (0.43) RAB9ASMN1; SMN2NPC1PARP1KDM4E
SCHEMBL666043 0.72 HTR2B (0.50) RAB9ASMN1; SMN2TAAR1POLBNPC1

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 RAB9A 3839/4885SMN1; SMN2 3493/4885TAAR1 4591/4885
US-20160324829-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 RAB9A 4065/4885SMN1; SMN2 2274/4885TAAR1 4263/4885
US-20090029966-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 RAB9A 4065/4885SMN1; SMN2 2274/4885TAAR1 4263/4885
US-20150005354-A1 Combination Therapy With Parp Inhibitors PARP2, PARP1, PARP3 RAB9A 3839/4885SMN1; SMN2 3493/4885TAAR1 4591/4885
US-20070265324-A1 Combination Therapy with Parp Inhibitors PARP2, PARP1, PARP3 RAB9A 3839/4885SMN1; SMN2 3493/4885TAAR1 4591/4885
US-20130225647-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 RAB9A 3839/4885SMN1; SMN2 3493/4885TAAR1 4591/4885
US-20080146638-A1 primary small cell lung cancer with veliparib and temozolomide; poly/adp-ribose/polymerase (PARP) PARP1, PARP2, PARP3 RAB9A 2084/4885SMN1; SMN2 3912/4885TAAR1 4389/4885
US-20110152336-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 RAB9A 3839/4885SMN1; SMN2 3493/4885TAAR1 4591/4885
US-20120045524-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 RAB9A 3839/4885SMN1; SMN2 3493/4885TAAR1 4591/4885
US-20060229289-A1 1H-benzimidazole-4-carboxamides substituted with a quaternary carbon at the 2-position are potent PARP inhibitors PARP1, PARP2, PARP4 RAB9A 3888/4885SMN1; SMN2 2031/4885TAAR1 4841/4885
US-20080293795-A1 temozolomide and veliparib for breast cancer PARP1, PARP2, BRCA1 RAB9A 2973/4885SMN1; SMN2 2095/4885TAAR1 4152/4885
US-20080280867-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 RAB9A 4065/4885SMN1; SMN2 2274/4885TAAR1 4263/4885
US-20150005355-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 RAB9A 4065/4885SMN1; SMN2 2274/4885TAAR1 4263/4885
US-20120264795-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP1, PARP2, PARP12 RAB9A 3530/4885SMN1; SMN2 2875/4885TAAR1 4270/4885
US-20120190720-A1 Combination Therapy With Parp Inhibitors PARP2, PARP1, PARP3 RAB9A 3839/4885SMN1; SMN2 3493/4885TAAR1 4591/4885

“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.