SCHEMBL7832095

SCHEMBL7832095

CCN(CC)CCCC(C)Nc1cc(/C=C/c2cccc(Br)c2)nc2cc(Cl)ccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.56
CHRM2 P08172 3/20 0.56
CHRM4 P08173 3/20 0.56
CHRM5 P08912 3/20 0.56
ADRA2A P08913 3/20 0.56
CHRM1 P11229 3/20 0.56
ADRA2B P18089 3/20 0.56
ADRA2C P18825 3/20 0.56
CHRM3 P20309 3/20 0.56
KCNH2 Q12809 3/20 0.56
CYP2D6 P10635 3/20 0.56
TMEM97 Q5BJF2 2/20 0.56
SIGMAR1 Q99720 2/20 0.56
ACE2 Q9BYF1 2/20 0.56
PRNP P04156 2/20 0.56
MTOR P42345 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
CYP2C19 P33261 2/20 0.56
APP P05067 1/20 0.56
NQO2 P16083 1/20 0.56

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
SCHEMBL7828252 0.93 CXCR4 (0.60) CXCR4CHRM2CHRM4CHRM5ADRA2A
SCHEMBL7828205 0.91 CXCR4 (0.61) CXCR4CHRM2CHRM4CHRM5ADRA2A
SCHEMBL7820014 0.90 CXCR4 (0.61) CXCR4CHRM2CHRM4CHRM5ADRA2A
SCHEMBL7831804 0.90 CXCR4 (0.56) CXCR4CHRM2CHRM4CHRM5ADRA2A
SCHEMBL7828302 0.89 CXCR4 (0.64) CXCR4CHRM2CHRM4CHRM5ADRA2A
SCHEMBL16142476 0.86 CXCR4 (0.62) CXCR4CHRM2CHRM4CHRM5ADRA2A
SCHEMBL7828282 0.86 CHRM2 (0.60) CXCR4CHRM2CHRM4CHRM5ADRA2A
SCHEMBL7820120 0.85 CHRM2 (0.57) CXCR4CHRM2CHRM4CHRM5ADRA2A
SCHEMBL7830725 0.85 CXCR4 (0.61) CXCR4CHRM2CHRM4CHRM5ADRA2A
SCHEMBL7828308 0.84 CHRM2 (0.58) CXCR4CHRM2CHRM4CHRM5ADRA2A

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 12 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
US-20160045487-A1 COMPOSITIONS AND METHODS FOR TREATING NEUROPATHY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-02-18 US disclosed
US-20160045487-A1 COMPOSITIONS AND METHODS FOR TREATING NEUROPATHY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-02-18 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 (4 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 CXCR4 885/4885CHRM2 866/4885CHRM4 1044/4885
US-20090203735-A1 TREATMENTS FOR NEUROPATHY NGF, BDNF, NTRK2 CXCR4 885/4885CHRM2 866/4885CHRM4 1044/4885
US-20160045487-A1 COMPOSITIONS AND METHODS FOR TREATING NEUROPATHY PMP22, GAP43, NGF CXCR4 432/4885CHRM2 1227/4885CHRM4 799/4885
US-20110086878-A1 Treatments for Neuropathy NGF, BDNF, NTRK2 CXCR4 885/4885CHRM2 866/4885CHRM4 1044/4885

“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.