SCHEMBL6940227

SCHEMBL6940227

CCC(C)n1ncn(-c2ccc(N3CCNCC3)cc2)c1=O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.74
LMNA P02545 2/20 0.74
KDM4E B2RXH2 1/20 0.74
ALDH1A1 P00352 1/20 0.74
GAA P10253 1/20 0.74
HTT P42858 1/20 0.74
SMN1; SMN2 Q16637 1/20 0.74
DGAT1 O75907 5/20 0.57
ADRB1 P08588 2/20 0.41
CYP3A4 P08684 9/20 0.41
MEN1 O00255 1/20 0.41
ABCB11 O95342 1/20 0.41
FYN P06241 1/20 0.41
ABCB1 P08183 1/20 0.41
CXCR1 P25024 1/20 0.41
TACR1 P25103 1/20 0.41
MAPK1 P28482 1/20 0.41
AVPR2 P30518 1/20 0.41
CCR4 P51679 1/20 0.41
KMT2A Q03164 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
Hydrochloric Acid SCHEMBL9120617 0.99 MAPT (0.72) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL6940921 0.89 MAPT (0.58) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL6941180 0.87 ALDH1A1 (0.55) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL16975619 0.86 MAPT (0.80) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL19730460 0.86 MAPT (0.80) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL23678506 0.86 MAPT (0.80) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL12240584 0.86 MAPT (0.80) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL23355483 0.86 MAPT (0.80) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL31618939 0.86 ALDH1A1 (0.58) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL2543291 0.85 MAPT (1.00) MAPTLMNAKDM4EALDH1A1GAA

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
EP-0889881-B1 NEW TRIAZOLES AS THERAPEUTIC AGENTS FOR FUNGAL INFECTIONS NAEJA PHARMACEUTICAL INC (CA) 2003-04-23 EP claimed
EP-0889881-A1 NEW TRIAZOLES AS THERAPEUTIC AGENTS FOR FUNGAL INFECTIONS SYNPHAR LABORATORIES INC. (CA) 1999-01-13 EP claimed
WO-1998031675-A1 NEW TRIAZOLES AS THERAPEUTIC AGENTS FOR FUNGAL INFECTIONS SYNPHAR LABORATORIES, INC. (US) 1998-07-23 WO claimed
EP-3003038-B1 2H-1,2,3-TRIAZOLE DERIVATIVES AS INHIBITORS OF FIBROSIS SCRIPPS RESEARCH INST (US) 2019-08-14 EP disclosed
US-9981956-B2 Small molecule inhibitors of fibrosis THE SCRIPPS RESEARCH INSTITUTE (US) 2018-05-29 US disclosed
US-20170217943-A1 SMALL MOLECULE INHIBITORS OF FIBROSIS THE SCRIPPS RESEARCH INSTITUTE 2017-08-03 US disclosed
US-9663499-B2 Small molecule inhibitors of fibrosis THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2017-05-30 US disclosed
US-20160130258-A1 SMALL MOLECULE INHIBITORS OF FIBROSIS THE SCRIPPS RESEARCH INSTITUTE 2016-05-12 US disclosed
US-7816360-B2 Microsomal triglyceride transfer protein (MTP) inhibitors, used for the treatment of atherosclerosis, pancreatitis, obesity, hypertriglyceridemia, hypercholesterolemia, hyperlipidemia, diabetes and non-insulin dependent diabetes JANSSEN PHARMACEUTICA NV (BE) 2010-10-19 US disclosed
US-7816360-B2 Microsomal triglyceride transfer protein (MTP) inhibitors, used for the treatment of atherosclerosis, pancreatitis, obesity, hypertriglyceridemia, hypercholesterolemia, hyperlipidemia, diabetes and non-insulin dependent diabetes JANSSEN PHARMACEUTICA NV (BE) 2010-10-19 US disclosed
US-20100004263-A1 MTP INHIBITING ARYL PIPERIDINES OR PEPERAZINES SUBSTITUTED WITH5-MEMBERED HETEROCYCLES MEERPOEL LIEVEN 2010-01-07 US disclosed
US-20100004263-A1 MTP INHIBITING ARYL PIPERIDINES OR PEPERAZINES SUBSTITUTED WITH5-MEMBERED HETEROCYCLES MEERPOEL LIEVEN 2010-01-07 US disclosed
US-7504400-B2 for the treatment of atherosclerosis, pancreatitis, obesity, hyper-triglyceridemia, hypercholesterolemia, hyperlipidemia, diabetes and type II diabetes; apolipoprotein B secretion inhibitors also for lipid lowering activity; compounds can selectively block MTP at the level of the gut wall in mammals JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-17 US disclosed
US-7504400-B2 for the treatment of atherosclerosis, pancreatitis, obesity, hyper-triglyceridemia, hypercholesterolemia, hyperlipidemia, diabetes and type II diabetes; apolipoprotein B secretion inhibitors also for lipid lowering activity; compounds can selectively block MTP at the level of the gut wall in mammals JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-17 US disclosed
US-20070191383-A1 Mtp inhibiting aryl piperydines or piperazines substituted with 5-membered heterocycles JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-16 US disclosed
US-20070191383-A1 Mtp inhibiting aryl piperydines or piperazines substituted with 5-membered heterocycles JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-16 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 (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-20160130258-A1 SMALL MOLECULE INHIBITORS OF FIBROSIS MMP1, COL2A1, MMP8 MAPT 4142/4885LMNA 2026/4885KDM4E 2499/4885
US-20170217943-A1 SMALL MOLECULE INHIBITORS OF FIBROSIS MMP1, COL2A1, MMP8 MAPT 4142/4885LMNA 2026/4885KDM4E 2499/4885
US-20070191383-A1 Mtp inhibiting aryl piperydines or piperazines substituted with 5-membered heterocycles APOB, PNLIP, LPL MAPT 4304/4885LMNA 2586/4885KDM4E 3377/4885
US-20100004263-A1 MTP INHIBITING ARYL PIPERIDINES OR PEPERAZINES SUBSTITUTED WITH5-MEMBERED HETEROCYCLES PNLIP, LPL, APOB MAPT 4512/4885LMNA 1815/4885KDM4E 2768/4885

“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.