SCHEMBL6428275

SCHEMBL6428275

c1ccc(CN2CCCN(Cc3ccccc3)N2Cc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.52
CCR3 P51677 1/20 0.44
MC4R P32245 1/20 0.44
DRD4 P21917 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 1/20 0.41
ACHE P22303 2/20 0.41
SLC6A3 Q01959 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
BCHE P06276 1/20 0.41
BACE1 P56817 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
SCHEMBL24527380 0.79 MC4R (0.50) SIGMAR1CCR3MC4RLMNAPOLB
SCHEMBL28162465 0.78 SIGMAR1 (0.69) SIGMAR1CCR3MC4RDRD4LMNA
SCHEMBL1263511 0.75 HCRTR1 (0.48) SIGMAR1LMNAPOLBTSHRCYP2D6
SCHEMBL1045330 0.75 SIGMAR1 (0.81) SIGMAR1CCR3MC4RDRD4LMNA
SCHEMBL329650 0.75 SIGMAR1 (0.81) SIGMAR1CCR3MC4RDRD4LMNA
SCHEMBL2228267 0.75 SIGMAR1 (0.81) SIGMAR1CCR3MC4RDRD4LMNA
SCHEMBL17196485 0.74 SIGMAR1 (0.56) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL1044952 0.73 SIGMAR1 (0.86) SIGMAR1CCR3MC4RDRD4LMNA
SCHEMBL577331 0.73 SIGMAR1 (0.86) SIGMAR1CCR3MC4RDRD4LMNA
SCHEMBL576379 0.73 SIGMAR1 (0.86) SIGMAR1CCR3MC4RDRD4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1155023-B1 CHELATING COMPOUNDS AND THEIR COMPLEXES WITH PARAMAGNETIC METALS BRACCO SPA (IT) 2005-03-02 EP claimed
JP-2003518131-A 2003-06-03 JP claimed
US-6509324-B1 Use as contrast agents in magnetic resonance imaging BRACCO S.P.A. (IT) 2003-01-21 US claimed
US-20030013859-A1 CHELATING COMPOUNDS, THEIR COMPLEXES WITH PARAMAGNETIC METALS BRACCO S.P.A. (IT) 2003-01-16 US claimed
EP-1155023-A1 CHELATING COMPOUNDS AND THEIR COMPLEXES WITH PARAMAGNETIC METALS BRACCO S.p.A. (IT) 2001-11-21 EP claimed
WO-2001046207-A1 CHELATING COMPOUNDS, THEIR COMPLEXES WITH PARAMAGNETIC METALS BRACCO S.P.A. (IT) 2001-06-28 WO claimed
EP-1155023-B1 CHELATING COMPOUNDS AND THEIR COMPLEXES WITH PARAMAGNETIC METALS BRACCO SPA (IT) 2005-03-02 EP disclosed
US-6509324-B1 Use as contrast agents in magnetic resonance imaging BRACCO S.P.A. (IT) 2003-01-21 US disclosed
US-20030013859-A1 CHELATING COMPOUNDS, THEIR COMPLEXES WITH PARAMAGNETIC METALS BRACCO S.P.A. (IT) 2003-01-16 US disclosed
EP-1155023-A1 CHELATING COMPOUNDS AND THEIR COMPLEXES WITH PARAMAGNETIC METALS BRACCO S.p.A. (IT) 2001-11-21 EP disclosed
WO-2001046207-A1 CHELATING COMPOUNDS, THEIR COMPLEXES WITH PARAMAGNETIC METALS BRACCO S.P.A. (IT) 2001-06-28 WO disclosed
EP-0275804-B1 PROCESS FOR PREPARING PHOSPHORUS-CONTAINING INTERMEDIATES FOR HERBICIDAL USE RHONE-POULENC AGROCHIMIE (FR) 1991-10-02 EP disclosed
EP-0275804-A1 Process for preparing phosphorus-containing intermediates for herbicidal use RHONE-POULENC AGROCHIMIE (FR) 1988-07-27 EP disclosed
EP-0162938-A1 Use of isocyanate or isothiocyanate polymers for making microcapsules Schmidt, Joachim, Dr.-Med. (DE) 1985-12-04 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-20030013859-A1 CHELATING COMPOUNDS, THEIR COMPLEXES WITH PARAMAGNETIC METALS MPI, SLC39A14, LRPPRC SIGMAR1 823/4885CCR3 873/4885MC4R 1991/4885

“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.