SCHEMBL4131042

SCHEMBL4131042

Nc1cccc(CN(C(=O)O)C2CCNCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DCUN1D1 Q96GG9 1/20 0.53
SLC6A2 P23975 9/20 0.52
SLC6A4 P31645 8/20 0.52
SLC6A3 Q01959 7/20 0.52
TACR1 P25103 6/20 0.50
KCNH2 Q12809 2/20 0.50
HSD11B1 P28845 1/20 0.43

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
SCHEMBL5913502 0.92 HSD11B1 (0.47) DCUN1D1SLC6A2SLC6A4SLC6A3TACR1
SCHEMBL3811903 0.85 DCUN1D1 (0.58) DCUN1D1SLC6A2SLC6A4SLC6A3TACR1
Hydrochloric Acid SCHEMBL21410210 0.84 DCUN1D1 (0.57) DCUN1D1SLC6A2SLC6A4SLC6A3TACR1
SCHEMBL5399569 0.83 TACR1 (0.48) DCUN1D1SLC6A2SLC6A4SLC6A3TACR1
SCHEMBL2307172 0.82 DCUN1D1 (0.72) DCUN1D1SLC6A2SLC6A4SLC6A3TACR1
SCHEMBL6622412 0.80 DCUN1D1 (0.54) DCUN1D1SLC6A2SLC6A4SLC6A3TACR1
SCHEMBL2233154 0.79 AGER (0.58) DCUN1D1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL619150 0.77 SLC6A2 (0.71) DCUN1D1SLC6A2SLC6A4SLC6A3TACR1
SCHEMBL18342235 0.77 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL476886 0.77 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2022793-B1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO LTD (JP) 2014-06-04 EP disclosed
US-8367831-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2013-02-05 US disclosed
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-09-06 US disclosed
US-8211908-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-07-03 US disclosed
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 US disclosed
EP-2022793-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-02-11 EP disclosed
EP-1265891-B1 NOVEL LIPOIC ACID HETEROCYCLIC OR BENZENE DERIVATIVES, PREPARATION AND USE THEREOF AS MEDICINES CONSEILS DE RECH SET D APPLIC (FR) 2004-12-29 EP disclosed
EP-1265891-A2 NOVEL LIPOIC ACID HETEROCYCLIC OR BENZENE DERIVATIVES, PREPARATION AND USE THEREOF AS MEDICINES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-12-18 EP disclosed
WO-2001068643-A2 NOVEL LIPOIC ACID HETEROCYCLIC OR BENZENE DERIVATIVES, PREPARATION AND USE THEREOF AS MEDICINES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2001-09-20 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-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, H1-4 DCUN1D1 856/4885SLC6A2 2606/4885SLC6A4 2442/4885
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, CXXC5 DCUN1D1 733/4885SLC6A2 2827/4885SLC6A4 2394/4885

“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.