SCHEMBL3065752

SCHEMBL3065752

Brc1ccc(CN2CCNCC2)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 6/20 0.45
ALDH1A1 P00352 1/20 0.45
KDM5C P41229 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
GRM2 Q14416 1/20 0.40
HRH3 Q9Y5N1 2/20 0.40
MEN1 O00255 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
ADRA2C P18825 1/20 0.40
CCR2 P41597 1/20 0.40
CXCL12 P48061 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
PDE2A O00408 1/20 0.39
LMNA P02545 1/20 0.38

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
Tert-Butyl Formate SCHEMBL27993861 0.84 KDM5C (0.38) CXCR4ALDH1A1KDM5CKDM4CSIGMAR1
SCHEMBL1881035 0.84 HRH3 (0.53) GRM2HRH3TDP1PDE2A
SCHEMBL1873045 0.83 HRH3 (0.55) GRM2HRH3TDP1PDE2A
SCHEMBL15206345 0.82 KMT2A (0.40) ALDH1A1KDM5CKDM4CGRM2KMT2A
SCHEMBL28184562 0.81 CXCR4 (0.47) CXCR4KDM5CKDM4CGRM2HRH3
SCHEMBL5254916 0.80 CYP1A2 (0.45) ALDH1A1GRM2HRH3KMT2APDE2A
SCHEMBL110617 0.80 HRH3 (0.53) CXCR4ALDH1A1HRH3MEN1KMT2A
SCHEMBL20160684 0.80 CXCR4 (0.49) CXCR4ALDH1A1KDM5CKDM4CSIGMAR1
SCHEMBL10112329 0.80 KDM4E (0.57) ALDH1A1GRM2HRH3PDE2A
SCHEMBL13764446 0.80 CXCR4 (0.45) CXCR4ALDH1A1KDM5CKDM4CSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8344001-B2 Heterocyclic H3 antagonists HIGH POINT PHARMACEUTICALS, LLC (US) 2013-01-01 US disclosed
US-20100267721-A1 Heterocyclic H3 Antagonists HIGH POINT PHARMACEUTICALS LLC (US) 2010-10-21 US disclosed
CN-101795567-A New heteocyclic H3 antagonists HIGH POINT PHARMACEUTICALS LLC 2010-08-04 CN disclosed
EP-2166850-A1 NEW HETEOCYCLIC H3 ANTAGONISTS High Point Pharmaceuticals, LLC (US) 2010-03-31 EP disclosed
EP-2014656-A2 New heteocyclic h3 antagonists TRANSTECH PHARMA (US) 2009-01-14 EP disclosed
WO-2008154126-A1 NEW HETEOCYCLIC H3 ANTAGONISTS HIGH POINT PHARMACEUTICALS, LLC (US) 2008-12-18 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 (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-20100267721-A1 Heterocyclic H3 Antagonists HRH3, HRH4, HRH2 CXCR4 199/4885ALDH1A1 3867/4885KDM5C 1522/4885

“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.