SCHEMBL2197649

SCHEMBL2197649

NC1CCCCC1N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 3/20 0.49
G6PC1 P35575 1/20 0.41
OPRM1 P35372 3/20 0.40
CA2 P00918 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
OPRK1 P41145 2/20 0.38
OPRD1 P41143 1/20 0.38
AOC3 Q16853 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 3/20 0.38
SIGMAR1 Q99720 1/20 0.37
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
YTHDC1 Q96MU7 1/20 0.36

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
SCHEMBL29615873 1.00 SLC18A3 (0.49) SLC18A3G6PC1OPRM1CA2SLC6A2
SCHEMBL490929 1.00 SLC18A3 (0.49) SLC18A3G6PC1OPRM1CA2SLC6A2
SCHEMBL2936927 1.00 SLC18A3 (0.49) SLC18A3G6PC1OPRM1CA2SLC6A2
Bromide SCHEMBL19897108 0.98 SLC18A3 (0.47) SLC18A3G6PC1OPRM1CA2SLC6A2
Bromide SCHEMBL19897327 0.98 SLC18A3 (0.47) SLC18A3G6PC1OPRM1CA2SLC6A2
Bromide SCHEMBL16799712 0.98 SLC18A3 (0.47) SLC18A3G6PC1OPRM1CA2SLC6A2
Bromide SCHEMBL20398790 0.97 SLC18A3 (0.46) SLC18A3G6PC1OPRM1CA2SLC6A2
SCHEMBL25209581 0.83 SLC18A3 (0.48) SLC18A3G6PC1OPRM1CA2SLC6A2
SCHEMBL28811067 0.83 SLC18A3 (0.44) SLC18A3OPRM1SLC6A2SLC6A4OPRK1
SCHEMBL6431460 0.83 SIGMAR1 (0.37) SLC18A3SLC6A2SLC6A4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114899-B1 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES FIRMENICH & CIE (CH) 2010-09-22 EP claimed
US-20100098650-A1 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES FIRMENICH SA (CH) 2010-04-22 US claimed
EP-2114899-A2 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES Firmenich S.A. (CH) 2009-11-11 EP claimed
WO-2008093272-A2 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES FIRMENICH SA (CH) 2008-08-07 WO claimed
CN-114773400-B Rhodium complex, preparation method, intermediate and application thereof 中国科学院上海有机化学研究所 2024-04-26 CN disclosed
CN-114773400-A Rhodium complex, preparation method, intermediate and application thereof 中国科学院上海有机化学研究所 2022-07-22 CN disclosed
CN-110944977-A Herbicidal amides FMC公司 2020-03-31 CN disclosed
US-9212335-B2 Equilibrated dynamic mixtures to control the release of perfuming aldehydes and ketones FIRMENICH SA (CH) 2015-12-15 US disclosed
CN-103254121-B A kind of method of synthesis (3R, 4R)-N-PG-4-methyl-3-methylamino piperidines LUOYANG NORMAL UNIVERSITY (CN) 2015-08-26 CN disclosed
CN-103254121-A Synthesis method of (3R, 4R)-N-PG-4-methyl-3-methylaminopiperidine UNIV LUOYANG NORMAL 2013-08-21 CN disclosed
EP-2398769-A1 NOVEL ORTHO-AMINOAMIDES FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2011-12-28 EP disclosed
US-7977372-B2 Ortho aminoamides for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2011-07-12 US disclosed
WO-2010094678-A1 NOVEL ORTHO-AMINOAMIDES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2010-08-26 WO disclosed
US-20100216806-A1 ORTHO AMINOAMIDES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE, INC. 2010-08-26 US disclosed
US-20100098650-A1 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES FIRMENICH SA (CH) 2010-04-22 US disclosed
EP-2114899-A2 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES Firmenich S.A. (CH) 2009-11-11 EP disclosed
WO-2008093272-A2 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES FIRMENICH SA (CH) 2008-08-07 WO disclosed
EP-1904460-A1 MULTIDENTATE AZA LIGANDS ABLE TO COMPLEX METAL IONS AND THE USE THEREOF IN DIAGNOSTICS AND THERAPY BRACCO IMAGING S.p.A. (IT) 2008-04-02 EP disclosed
WO-2006136564-A9 MULTIDENTATE AZA LIGANDS ABLE TO COMPLEX METAL IONS AND THE USE THEREOF IN DIAGNOSTICS AND THERAPY BRACCO IMAGING SPA (IT) 2008-02-07 WO disclosed
WO-2006136564-A1 MULTIDENTATE AZA LIGANDS ABLE TO COMPLEX METAL IONS AND THE USE THEREOF IN DIAGNOSTICS AND THERAPY BRACCO IMAGING S.P.A. (IT) 2006-12-28 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 (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-20100216806-A1 ORTHO AMINOAMIDES FOR THE TREATMENT OF CANCER HDAC5, HDAC1, HDAC4 SLC18A3 3272/4885G6PC1 3490/4885OPRM1 1131/4885
US-20100098650-A1 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES PKM, APEH, PLG SLC18A3 609/4885G6PC1 3965/4885OPRM1 623/4885

“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.