SCHEMBL1612052

SCHEMBL1612052

CCCCCCCCNCCCNc1cc[n+]([O-])c2cc(Cl)ccc12

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.40
ACHE P22303 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 1/20 0.36
FERMT2 Q96AC1 1/20 0.36
UTS2R Q9UKP6 1/20 0.36
HRH3 Q9Y5N1 3/20 0.36

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
Water SCHEMBL14739890 0.76 CCR1 (0.52) CCR1FERMT2HRH3
SCHEMBL15923405 0.68 CCR1 (0.84) CCR1FERMT2HRH3
SCHEMBL14668240 0.68 CCR1 (0.84) CCR1FERMT2HRH3
SCHEMBL15923067 0.68 CCR1 (0.84) CCR1FERMT2HRH3
Bromide SCHEMBL901715 0.67 CDK1 (0.47) CCR1FERMT2
SCHEMBL19841699 0.66 CCR1 (0.86) CCR1FERMT2HRH3
Water SCHEMBL20856749 0.66 CHRM2 (0.39) ACHE
SCHEMBL7549269 0.66 ABL1 (0.44) SMN1; SMN2KMT2AUTS2R
SCHEMBL23640948 0.64 CCR1 (0.89) CCR1ACHEFERMT2HRH3
SCHEMBL17527102 0.64 CCR1 (0.89) CCR1KMT2AFERMT2HRH3

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 8 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-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-7863295-B2 Treatments for neuropathy CHILDREN'S MEDICAL CENTER CORPORATION (US) 2011-01-04 US disclosed
EP-2240177-A2 TREATMENTS FOR NEUROPATHY Children's Medical Center Corporation (US) 2010-10-20 EP 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

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 CCR1 867/4885ACHE 89/4885SMN1; SMN2 38/4885
US-20090203735-A1 TREATMENTS FOR NEUROPATHY NGF, BDNF, NTRK2 CCR1 867/4885ACHE 89/4885SMN1; SMN2 38/4885
US-20160045487-A1 COMPOSITIONS AND METHODS FOR TREATING NEUROPATHY PMP22, GAP43, NGF CCR1 968/4885ACHE 143/4885SMN1; SMN2 4/4885
US-20110086878-A1 Treatments for Neuropathy NGF, BDNF, NTRK2 CCR1 867/4885ACHE 89/4885SMN1; SMN2 38/4885

“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.