SCHEMBL1044952

SCHEMBL1044952

c1ccc(CN2CCCN(Cc3ccccc3)CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.86

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.86
MC4R P32245 1/20 0.69
DRD4 P21917 1/20 0.67
LMNA P02545 1/20 0.67
POLB P06746 1/20 0.67
HRH3 Q9Y5N1 1/20 0.62
CHKA P35790 1/20 0.62
CCR3 P51677 1/20 0.60
KMT2A Q03164 1/20 0.60
ACHE P22303 1/20 0.59

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
SCHEMBL577331 1.00 SIGMAR1 (0.86) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL1043563 1.00 SIGMAR1 (0.86) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL576379 1.00 SIGMAR1 (0.86) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL2228267 0.98 SIGMAR1 (0.81) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL1045330 0.98 SIGMAR1 (0.81) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL329650 0.98 SIGMAR1 (0.81) SIGMAR1MC4RDRD4LMNAPOLB
Water SCHEMBL17460165 0.95 SIGMAR1 (0.77) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL3061933 0.94 SIGMAR1 (0.75) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL13952 0.93 SIGMAR1 (0.81) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL1777747 0.93 SIGMAR1 (0.81) SIGMAR1MC4RDRD4LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2269995-B1 PROCESS FOR PRODUCTION OF POLYMERS WITH IRON COMPLEX CATALYST DAINIPPON INK & CHEMICALS (JP) 2012-12-12 EP disclosed
US-8017706-B2 Process for production of polymers with iron complex catalyst DIC CORPORATION (JP) 2011-09-13 US disclosed
US-20110105703-A1 PROCESS FOR PRODUCTION OF POLYMERS WITH IRON COMPLEX CATALYST DIC Corporatio (JP) 2011-05-05 US disclosed
EP-2269995-A1 PROCESS FOR PRODUCTION OF POLYMERS WITH IRON COMPLEX CATALYST DIC Corporation (JP) 2011-01-05 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-20110105703-A1 PROCESS FOR PRODUCTION OF POLYMERS WITH IRON COMPLEX CATALYST TFRC, FECH, FTH1 SIGMAR1 886/4885MC4R 2085/4885DRD4 944/4885

“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.