SCHEMBL7831970

SCHEMBL7831970

CCN(CC)CCCC(CCN(CC)CC)Nc1cc(/C=C/c2ccccc2Cl)nc2cc(Cl)ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.46
CXCR4 P61073 3/20 0.46
CHRM2 P08172 3/20 0.46
CHRM4 P08173 3/20 0.46
CHRM5 P08912 3/20 0.46
ADRA2A P08913 3/20 0.46
CHRM1 P11229 3/20 0.46
ADRA2B P18089 3/20 0.46
ADRA2C P18825 3/20 0.46
CHRM3 P20309 3/20 0.46
KCNH2 Q12809 3/20 0.46
PRNP P04156 2/20 0.46
MTOR P42345 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
CYP2C19 P33261 2/20 0.46
TMEM97 Q5BJF2 2/20 0.46
SIGMAR1 Q99720 2/20 0.46
ACE2 Q9BYF1 2/20 0.46
APP P05067 1/20 0.46
NQO2 P16083 1/20 0.46

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
Aminoquinol SCHEMBL29462347 0.90 CXCR4 (0.59) CYP2D6CXCR4CHRM2CHRM4CHRM5
Aminoquinol SCHEMBL1612756 0.90 CXCR4 (0.59) CYP2D6CXCR4CHRM2CHRM4CHRM5
Aminoquinol SCHEMBL30002729 0.90 CXCR4 (0.59) CYP2D6CXCR4CHRM2CHRM4CHRM5
Aminoquinol SCHEMBL1612755 0.90 CXCR4 (0.59) CYP2D6CXCR4CHRM2CHRM4CHRM5
SCHEMBL7828401 0.88 CXCR4 (0.51) CYP2D6CXCR4CHRM2CHRM4CHRM5
Aminoquinol SCHEMBL706641 0.86 HSD17B10 (0.62) CYP2D6CXCR4CHRM2CHRM4CHRM5
Aminoquinol SCHEMBL706642 0.86 HSD17B10 (0.62) CYP2D6CXCR4CHRM2CHRM4CHRM5
Aminoquinol SCHEMBL29578527 0.86 HSD17B10 (0.62) CYP2D6CXCR4CHRM2CHRM4CHRM5
SCHEMBL12713542 0.82 CHRM2 (0.58) CYP2D6CXCR4CHRM2CHRM4CHRM5
SCHEMBL16142475 0.82 CHRM2 (0.57) CYP2D6CXCR4CHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160058749-A1 TREATMENTS FOR NEUROPATHY CHILDRENS MEDICAL CENTER (US) 2016-03-03 US disclosed
US-20160058749-A1 TREATMENTS FOR NEUROPATHY CHILDRENS MEDICAL CENTER (US) 2016-03-03 US disclosed
WO-2014160811-A1 COMPOSITIONS AND METHODS FOR TREATING NEUROPATHY CHILDREN'S MEDICAL CENTER CORPORATION (US) 2014-10-02 WO disclosed
US-20110086878-A1 Treatments for Neuropathy NIH-DEITR 2011-04-14 US disclosed
US-20110086878-A1 Treatments for Neuropathy NIH-DEITR 2011-04-14 US disclosed
US-7863295-B2 Treatments for neuropathy CHILDREN'S MEDICAL CENTER CORPORATION (US) 2011-01-04 US disclosed
US-7863295-B2 Treatments for neuropathy CHILDREN'S MEDICAL CENTER CORPORATION (US) 2011-01-04 US disclosed
WO-2009102570-A2 TREATMENTS FOR NEUROPATHY CHILDREN'S MEDICAL CENTER CORPORATION (US) 2009-08-20 WO disclosed
US-20090203735-A1 TREATMENTS FOR NEUROPATHY NIH-DEITR 2009-08-13 US disclosed
US-20090203735-A1 TREATMENTS FOR NEUROPATHY NIH-DEITR 2009-08-13 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 (3 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-20160058749-A1 TREATMENTS FOR NEUROPATHY NGF, BDNF, NTRK2 CYP2D6 3450/4885CXCR4 885/4885CHRM2 866/4885
US-20090203735-A1 TREATMENTS FOR NEUROPATHY NGF, BDNF, NTRK2 CYP2D6 3450/4885CXCR4 885/4885CHRM2 866/4885
US-20110086878-A1 Treatments for Neuropathy NGF, BDNF, NTRK2 CYP2D6 3450/4885CXCR4 885/4885CHRM2 866/4885

“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.