SCHEMBL4356558

SCHEMBL4356558

c1coc(CC2CN(Cc3ncco3)NN(Cc3ncco3)C2)n1

nearest known ligand 0.30

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 1/20 0.30
CYP2D6 P10635 1/20 0.30
HRH1 P35367 1/20 0.30
FAAH O00519 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 1/20 0.30

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
SCHEMBL20599362 0.71 RAB9A (0.41) FAAH
SCHEMBL28068772 0.70 FAAH (0.51) FAAH
SCHEMBL956707 0.69 RAB9A (0.43) FAAH
SCHEMBL3070225 0.64 CYP2D6 (0.41) CYP2D6HRH1CHRNB2CHRNA4
SCHEMBL6167565 0.64 CXCR4 (0.43)
SCHEMBL12425856 0.62 FAAH (0.43) FAAH
SCHEMBL3076356 0.62 HRH3 (0.42) CYP2D6HRH1CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL17271881 0.62 CXCR4 (0.42)
SCHEMBL12424319 0.62 CYP2D6 (0.45) CYP2D6HRH1
SCHEMBL9282474 0.61 CHRNB2 (0.48) CYP2D6HRH1CHRNB2CHRNA7CHRNA4

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-1961733-B1 METHOD FOR SELECTIVELY PRODUCING PRIMARY AMINE COMPOUND SUMITOMO CHEMICAL CO (JP) 2014-08-20 EP disclosed
US-8269044-B2 Method for selectively producing primary amine compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-18 US disclosed
US-20090281325-A1 METHOD FOR SELECTIVELY PRODUCING PRIMARY AMINE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-12 US disclosed
EP-1961733-A1 METHOD FOR SELECTIVELY PRODUCING PRIMARY AMINE COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-08-27 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-20090281325-A1 METHOD FOR SELECTIVELY PRODUCING PRIMARY AMINE COMPOUND NAT1, AADAC, AOC3 CYP1B1 245/4885CYP2D6 870/4885HRH1 28/4885

“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.