SCHEMBL1211331

SCHEMBL1211331

CCN(CCN)C(C)c1ccnc(F)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.39
AAK1 Q2M2I8 4/20 0.33
CXCR4 P61073 2/20 0.31
ROCK1 Q13464 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
CYP2D6 P10635 1/20 0.31
KCNE1 P15382 1/20 0.31
KCNA5 P22460 1/20 0.31
HRH4 Q9H3N8 2/20 0.30
OPRK1 P41145 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
SCHEMBL334298 0.79 SMN1; SMN2 (0.34) LOXL2ROCK1CYP2D6KCNE1KCNA5
SCHEMBL334403 0.77 AOC3 (0.41) OPRK1
SCHEMBL334729 0.75 ROCK1 (0.39) LOXL2ROCK1
SCHEMBL30762154 0.72 ADRB2 (0.37)
SCHEMBL29278112 0.72 ADRB2 (0.37)
SCHEMBL23652625 0.72 TDP1 (0.45) CYP2D6OPRK1
SCHEMBL335068 0.72 AOC3 (0.40) CXCR4OPRK1
SCHEMBL335260 0.72 HRH1 (0.45) CYP2D6
SCHEMBL334716 0.71 MC4R (0.46) CYP2D6
SCHEMBL1207989 0.71 LOXL2 (0.53) LOXL2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110044899-A1 LABELLED ANALOGUES OF HALOBENZAMIDES AS MULTIMODAL RADIOPHARMACEUTICALS AND THEIR PRECURSORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2011-02-24 US 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-20110044899-A1 LABELLED ANALOGUES OF HALOBENZAMIDES AS MULTIMODAL RADIOPHARMACEUTICALS AND THEIR PRECURSORS CBR3, ADRB3, HRH4 LOXL2 4389/4885AAK1 4435/4885CXCR4 1765/4885

“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.