SCHEMBL4854355

SCHEMBL4854355

COc1ccc2ncc(F)c(I)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
APP P05067 4/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPT P10636 2/20 0.42
GRM1 Q13255 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
EGFR P00533 3/20 0.41
HTR1A P08908 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL2946799 0.81 LMNA (0.43) LMNAKDM4EMAPTGRM1GABRA1
SCHEMBL5185398 0.81 SRC (0.45) LMNAAPPKDM4EMAPTGRM1
SCHEMBL5706839 0.81 CYP17A1 (0.44) LMNAKDM4EMAPTGRM1GABRA1
SCHEMBL591501 0.77 ALDH1A1 (0.45) LMNAKDM4EMAPTGRM1GABRA1
SCHEMBL2533923 0.77 KCNH2 (0.46) LMNAKDM4EHTR1AADRA1DADRA1A
SCHEMBL2535928 0.77 KCNH2 (0.43) LMNAKDM4EMAPTGRM1GABRA1
SCHEMBL5813519 0.77 KCNH2 (0.43) LMNAKDM4EMAPTGRM1GABRA1
SCHEMBL2954867 0.77 KDM4E (0.42) LMNAKDM4EMAPTGRM1GABRA1
SCHEMBL6279199 0.76 KCNH2 (0.45) LMNAKDM4EMAPK1NPSR1
SCHEMBL6270490 0.76 KDM4E (0.50) LMNAKDM4EMAPTGABRA1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1695964-A1 Quinoline derivatives for use as intermediates in the synthesis of heterocyclylalcoyl piperidines NOVEXEL (FR) 2006-08-30 EP claimed
US-6903217-B2 Heterocyclylalkylpiperidine derivatives, their preparation and compositions containing them AVENTIS PHARMA S.A. (FR) 2005-06-07 US claimed
US-7348434-B2 4-substituted quinoline derivatives, method and intermediates for their preparation and pharmaceutical compositions containing them BIGOT ANTONY 2008-03-25 US disclosed
US-20080032985-A1 4-Substituted Quinoline Derivatives, Method and Intermediates for Their Preparation and Pharmaceutical Compositions Containing Them NOVEXEL (FR) 2008-02-07 US disclosed
CN-101023076-A 4-substituted quinoline derivatives, method and intermediates for preparing same and pharmaceutical compositions containing same NOVEXEL (FR) 2007-08-22 CN disclosed
US-7232833-B2 4-substituted quinoline derivatives, method and intermediates for their preparation and pharmaceutical compositions containing them NOVEXEL (FR) 2007-06-19 US disclosed
US-7232834-B2 Quinolylpropylpiperidine derivatives, intermediates and compositions containing them, and preparation therefor NOVEXEL SA (FR) 2007-06-19 US disclosed
EP-1370550-B1 QUINOLYL PROPYL PIPERIDINE DERIVATIVES, THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING SAME NOVEXEL (FR) 2007-05-23 EP disclosed
EP-1763527-A1 4-SUBSTITUTED QUINOLINE DERIVATIVES, METHOD AND INTERMEDIATES FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME NOVEXEL (FR) 2007-03-21 EP disclosed
EP-1695964-A1 Quinoline derivatives for use as intermediates in the synthesis of heterocyclylalcoyl piperidines NOVEXEL (FR) 2006-08-30 EP disclosed
EP-1695964-A1 Quinoline derivatives for use as intermediates in the synthesis of heterocyclylalcoyl piperidines NOVEXEL (FR) 2006-08-30 EP disclosed
EP-1370550-A1 QUINOLYL PROPYL PIPERIDINE DERIVATIVES, THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 2003-12-17 EP disclosed
US-20030171369-A1 Quinolylpropylpiperidine derivatives, their preparation, and compositions containing them AVENTIS PHARMA S.A. 2003-09-11 US disclosed
EP-1337529-A2 HETEROCYCLYLALKYL PIPERIDINE DERIVATIVES, THEIR PREPARATION AND COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 2003-08-27 EP disclosed
US-6603005-B2 Bactericides AVENTIS PHARMA S.A. (FR) 2003-08-05 US disclosed
US-6602884-B2 Useful as antibiotics against Staphylococcus, Streptococcus, Enterococcus and Moraxella AVENTIS PHARMA S.A. (FR) 2003-08-05 US disclosed
US-20020177606-A1 Quinolylpropylpiperidine derivatives, their preparation, and compositions containing them NOVEXEL (FR) 2002-11-28 US disclosed
WO-2002072572-A1 QUINOLYL PROPYL PIPERIDINE DERIVATIVES, THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING SAME AVENTIS PHARMA S.A. (FR) 2002-09-19 WO disclosed
US-20020111492-A1 Heterocyclylalkylpiperidine derivatives, their preparation and compositions containing them NOVEXEL (FR) 2002-08-15 US disclosed
WO-2002040474-A2 HETEROCYCLYLALKYL PIPERIDINE DERIVATIVES AND THEIR USE AS ANTIMICROBIAL AGENTS AVENTIS PHARMA S.A. (FR) 2002-05-23 WO 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 (4 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-20020111492-A1 Heterocyclylalkylpiperidine derivatives, their preparation and compositions containing them SYNJ1, NCAPD2, SYNJ2 LMNA 295/4885APP 917/4885KDM4E 4252/4885
US-20020177606-A1 Quinolylpropylpiperidine derivatives, their preparation, and compositions containing them QDPR, MRPL21, RPLP2 LMNA 3014/4885APP 3093/4885KDM4E 2771/4885
US-20080032985-A1 4-Substituted Quinoline Derivatives, Method and Intermediates for Their Preparation and Pharmaceutical Compositions Containing Them CYP3A7, CYP3A4, CYP4B1 LMNA 2305/4885APP 2303/4885KDM4E 1252/4885
US-20030171369-A1 Quinolylpropylpiperidine derivatives, their preparation, and compositions containing them QDPR, MRPL21, RPLP2 LMNA 3014/4885APP 3093/4885KDM4E 2771/4885

“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.