SCHEMBL3122505

SCHEMBL3122505

c1ccc(CNCC2CCCCC2)nc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.68
RECQL P46063 1/20 0.68
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
CHRM2 P08172 1/20 0.50
KDM4E B2RXH2 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
GFER P55789 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
MAPK1 P28482 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44

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
SCHEMBL10508729 0.86 HPGD (0.51) HPGDRECQLMEN1KMT2ACHRM2
SCHEMBL22454176 0.82 HPGD (0.48) HPGDRECQLMEN1KMT2ACHRM2
SCHEMBL16293101 0.82 ALDH1A1 (0.49) HPGDRECQLMEN1KMT2ACHRM2
SCHEMBL16293805 0.81 HPGD (0.47) HPGDRECQLMEN1KMT2ACHRM2
SCHEMBL20879994 0.81 HPGD (1.00) HPGDRECQLMEN1KMT2ASMN1; SMN2
SCHEMBL10644349 0.80 HPGD (0.52) HPGDRECQLMEN1KMT2A
SCHEMBL20392498 0.79 HPGD (0.54) HPGDRECQLMEN1KMT2ASMN1; SMN2
SCHEMBL27946219 0.78 HPGD (0.47) HPGDRECQLMEN1KMT2ACHRM2
Hydrochloric Acid SCHEMBL8843582 0.78 HPGD (0.74) HPGDRECQLMEN1KMT2AKDM4E
SCHEMBL8911524 0.78 HPGD (0.55) HPGDRECQLMEN1KMT2AKDM4E

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7985882-B1 Compositions for reductive aminations utilizing supported tricarboxyborohydride reagents and methods of using the same BIOTAGE AB (SE) 2011-07-26 US disclosed
US-7985882-B1 Compositions for reductive aminations utilizing supported tricarboxyborohydride reagents and methods of using the same BIOTAGE AB (SE) 2011-07-26 US disclosed
WO-2010035032-A1 CALCIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2010-04-01 WO disclosed
WO-2010035032-A1 CALCIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2010-04-01 WO disclosed
WO-2009133387-A1 INDOLE- 3 -GLYOXYLAMIDE DERIVATIVES FOR USE AS CALCIUM ION CHANNEL MODULATORS LECTUS THERAPEUTICS LIMITED (GB) 2009-11-05 WO disclosed
WO-2009133387-A1 INDOLE- 3 -GLYOXYLAMIDE DERIVATIVES FOR USE AS CALCIUM ION CHANNEL MODULATORS LECTUS THERAPEUTICS LIMITED (GB) 2009-11-05 WO disclosed
US-7030120-B2 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same MEIJI SEIKA KAISHA, LTD. (JP) 2006-04-18 US disclosed
US-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same OHKURA NAOTO (JP) 2004-11-11 US disclosed
US-6777414-B1 INHIBITORS OF TRIGLYCERIDE BIOSYNTHESIS AND SECRETION OF APOLIPOPROTEIN B-CONTAINING LIPOPROTEINS; ARTERIOSCLEROTIC DISEASES; HYPERLIPIDEMIA MEIJI SEIKA KAISHA, LTD. (JP) 2004-08-17 US disclosed
EP-1180514-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND BENAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2002-02-20 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 (1 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-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same APOB, NCEH1, LIPC HPGD 775/4885RECQL 1270/4885MEN1 4072/4885

“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.