SCHEMBL1645820

SCHEMBL1645820

CN1CCN(C2CCCC2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.43
MGLL Q99685 1/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL3 Q96JM7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
KCNH2 Q12809 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTR6 P50406 1/20 0.38
ABCB1 P08183 1/20 0.38
SLC18A3 Q16572 1/20 0.38

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
SCHEMBL2321741 1.00 PHGDH (0.43) PHGDHMGLLALDH1A1LMNATP53
SCHEMBL16716747 0.97 PHGDH (0.47) PHGDHMGLLALDH1A1LMNATP53
SCHEMBL20080914 0.97 PHGDH (0.47) PHGDHMGLLALDH1A1LMNATP53
SCHEMBL508980 0.97 PHGDH (0.47) PHGDHMGLLALDH1A1LMNATP53
SCHEMBL2056148 0.97 PHGDH (0.47) PHGDHMGLLALDH1A1LMNATP53
SCHEMBL81246 0.94 L3MBTL3 (0.41) PHGDHMGLLALDH1A1LMNATP53
SCHEMBL14947655 0.93 KDM4E (0.48) PHGDHMGLLALDH1A1LMNATP53
SCHEMBL13942544 0.91 KDM4E (0.47) PHGDHMGLLALDH1A1LMNATP53
SCHEMBL15188806 0.91 L3MBTL3 (0.51) PHGDHMGLLALDH1A1LMNATP53
SCHEMBL18056306 0.90 KDM4E (0.45) PHGDHMGLLALDH1A1LMNATP53

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 172 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3027602-B1 NOVEL DERIVATIVES OF INDOLE AND PYRROLE, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2018-06-13 EP claimed
US-20170342051-A1 INDOLE AND PYRROLE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2017-11-30 US claimed
US-9765056-B2 Indole and pyrrole compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2017-09-19 US claimed
EP-3027602-A1 NOVEL DERIVATIVES OF INDOLE AND PYRROLE, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Les Laboratoires Servier (FR) 2016-06-08 EP claimed
US-20160152599-A1 INDOLE AND PYRROLE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2016-06-02 US claimed
WO-2015011396-A1 NOVEL DERIVATIVES OF INDOLE AND PYRROLE, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2015-01-29 WO claimed
JP-4833059-B2 2011-12-07 JP claimed
US-20110230471-A1 BENZONAPHTYRIDINE COMPOUNDS AS INHIBITORS OF AUTOTAXIN MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-09-22 US claimed
EP-2352733-A1 BENZONAPHTYRIDINE COMPOUNDS USED AS INHIBITORS OF AUTOTAXIN Merck Patent GmbH (DE) 2011-08-10 EP claimed
US-7943605-B2 Compounds comprising a lactam or a lactam derivative moiety, processes for making them, and their uses UCB PHARMA S.A. (BE) 2011-05-17 US claimed
WO-2010060532-A1 BENZONAPHTYRIDINE COMPOUNDS USED AS INHIBITORS OF AUTOTAXIN MERCK PATENT GMBH (DE) 2010-06-03 WO claimed
US-20090023708-A1 Compounds Comprising a Lactam or a Lactam Derivative Moiety, Processes for Making Them, and Their Uses UCB PHARMA, S.A. (BE) 2009-01-22 US claimed
US-20080312223-A1 Thiazole And Isothiazole Derivatives That Modulate The Activity Of CDK, GSK And Aurora Kinases ASTEX THERAPEUTICS LIMITED (GB) 2008-12-18 US claimed
EP-1943217-A1 COMPOUNDS COMPRISING A LACTAM OR A LACTAM DERIVATIVE MOIETY, PROCESSES FOR MAKING THEM, AND THEIR USES UCB Pharma, S.A. (BE) 2008-07-16 EP claimed
EP-1836199-A1 THIAZOLE AND ISOTHIAZOLE DERIVATIVES THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES Astex Therapeutics Limited (GB) 2007-09-26 EP claimed
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUCTICS, LIMITED (US) 2007-06-14 US claimed
WO-2007048595-A1 COMPOUNDS COMPRISING A LACTAM OR A LACTAM DERIVATIVE MOIETY, PROCESSES FOR MAKING THEM, AND THEIR USES UCB PHARMA, S.A. (BE) 2007-05-03 WO claimed
WO-2006070192-A1 THIAZOLE AND ISOTHIAZOLE DERIVATIVES THAT MODULATE THE ACIVITY OF CDK, GSK AND AURORA KYNASES ASTEX THERAPEUTICS LIMITED (GB) 2006-07-06 WO claimed
EP-1648426-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS Astex Therapeutics Limited (GB) 2006-04-26 EP claimed
WO-2005002552-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20170342051-A1 INDOLE AND PYRROLE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RB1, IDO1, BCL2A1 PHGDH 3386/4885MGLL 4144/4885ALDH1A1 1103/4885
US-20090023708-A1 Compounds Comprising a Lactam or a Lactam Derivative Moiety, Processes for Making Them, and Their Uses COASY, FURIN, PEPD PHGDH 1136/4885MGLL 1180/4885ALDH1A1 1149/4885
US-20160152599-A1 INDOLE AND PYRROLE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM IDO1, IDO2, NFATC1 PHGDH 3026/4885MGLL 4048/4885ALDH1A1 1387/4885
US-20080312223-A1 Thiazole And Isothiazole Derivatives That Modulate The Activity Of CDK, GSK And Aurora Kinases CDK1, CDK8, CDK2 PHGDH 2400/4885MGLL 4847/4885ALDH1A1 4170/4885
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors CDK1, AURKA, CDK2 PHGDH 796/4885MGLL 4633/4885ALDH1A1 1157/4885
US-20110230471-A1 BENZONAPHTYRIDINE COMPOUNDS AS INHIBITORS OF AUTOTAXIN ENPP2, TPX2, TPD52L2 PHGDH 2335/4885MGLL 4793/4885ALDH1A1 4584/4885

“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.