Sugi Predict

Sugi Predict / Compounds / SCHEMBL6941180

SCHEMBL6941180

SCHEMBL6941180

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.55
▸ MAPT P10636 2/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ LMNA P02545 2/20 0.55
▸ GAA P10253 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ DGAT1 O75907 3/20 0.54
▸ ADRB1 P08588 6/20 0.45
▸ HTR3E A5X5Y0 3/20 0.42
▸ HTR3B O95264 3/20 0.42
▸ HTR3A P46098 3/20 0.42
▸ HTR3D Q70Z44 3/20 0.42
▸ HTR3C Q8WXA8 3/20 0.42
▸ SIGMAR1 Q99720 3/20 0.42
▸ ADRB2 P07550 1/20 0.41
▸ NCF1 P14598 1/20 0.41
▸ PLD1 Q13393 1/20 0.41
▸ KDM5B Q9UGL1 1/20 0.41
▸ ROCK2 O75116 1/20 0.40

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
SCHEMBL6940227 0.87 MAPT (0.74) ALDH1A1MAPTKDM4ELMNAGAA
Hydrochloric Acid SCHEMBL9120617 0.86 MAPT (0.72) ALDH1A1MAPTKDM4ELMNAGAA
SCHEMBL6940921 0.85 MAPT (0.58) ALDH1A1MAPTKDM4ELMNAGAA
SCHEMBL13114774 0.85 GPR119 (0.49) ALDH1A1MAPTKDM4ELMNAGAA
SCHEMBL13114776 0.85 ROCK2 (0.59) ALDH1A1MAPTKDM4ELMNAGAA
SCHEMBL14902011 0.84 MAPT (0.60) ALDH1A1MAPTKDM4ELMNAGAA
SCHEMBL13114780 0.84 DGAT1 (0.48) ALDH1A1MAPTKDM4ELMNAGAA
SCHEMBL13114802 0.84 ADRB1 (0.48) ALDH1A1MAPTKDM4ELMNAGAA
SCHEMBL20639915 0.83 MAPT (0.58) ALDH1A1MAPTKDM4ELMNAGAA
SCHEMBL9665148 0.83 MAPT (0.77) ALDH1A1MAPTKDM4ELMNAGAA

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 13 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-2470552-B1 NOVEL CRYSTALLINE HETEROAROMATIC FLUOROGLYCOSIDE HYDRATES, PHARMACEUTICALS COMPRISING THESE COMPOUNDS AND THEIR USE SANOFI SA (FR) 2013-11-13 — — EP 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
EP-0889881-B1 NEW TRIAZOLES AS THERAPEUTIC AGENTS FOR FUNGAL INFECTIONS NAEJA PHARMACEUTICAL INC (CA) 2003-04-23 — — EP 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 (2 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-20070191383-A1 Mtp inhibiting aryl piperydines or piperazines substituted with 5-membered heterocycles APOB, PNLIP, LPL ALDH1A1 2700/4885MAPT 4304/4885KDM4E 3377/4885
US-20100004263-A1 MTP INHIBITING ARYL PIPERIDINES OR PEPERAZINES SUBSTITUTED WITH5-MEMBERED HETEROCYCLES PNLIP, LPL, APOB ALDH1A1 3136/4885MAPT 4512/4885KDM4E 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.