SCHEMBL1612094

SCHEMBL1612094

CC[CH]CCCN(CC)CC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
KDM4E B2RXH2 1/20 0.32
SLC2A1 P11166 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
CHRM2 P08172 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD1 P21728 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
ADRA1A P35348 1/20 0.31
OPRM1 P35372 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL10932983 0.90 SIGMAR1 (0.35) ALDH1A1SIGMAR1SLC6A2SLC6A4KCNH2
SCHEMBL23451757 0.89 SIGMAR1 (0.35) ALDH1A1SIGMAR1SLC2A1MEN1POLB
SCHEMBL23451783 0.86 SIGMAR1 (0.34) ALDH1A1SIGMAR1SLC2A1MEN1POLB
SCHEMBL23451565 0.86 SIGMAR1 (0.34) ALDH1A1SIGMAR1SLC2A1MEN1POLB
SCHEMBL5948658 0.83 MEN1 (0.34) MEN1POLBKMT2A
SCHEMBL5948888 0.82 TSHR (0.36) ALDH1A1SIGMAR1KCNH2
SCHEMBL5949182 0.82 ALDH1A1 (0.32) ALDH1A1SIGMAR1SLC2A1MEN1POLB
SCHEMBL27870369 0.82 CA12 (0.33) ALDH1A1KCNH2
SCHEMBL5788563 0.80 NPSR1 (0.33) ALDH1A1SIGMAR1SLC2A1MEN1POLB
SCHEMBL28997837 0.79 TSHR (0.38) ALDH1A1

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 9 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
CN-1882546-A Pyridin-4-ylamine compounds useful in the treatment of neuropathic pain MERCK & CO INC (US) 2006-12-20 CN 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 ALDH1A1 358/4885SIGMAR1 957/4885KDM4E 4167/4885
US-20090203735-A1 TREATMENTS FOR NEUROPATHY NGF, BDNF, NTRK2 ALDH1A1 358/4885SIGMAR1 957/4885KDM4E 4167/4885
US-20160045487-A1 COMPOSITIONS AND METHODS FOR TREATING NEUROPATHY PMP22, GAP43, NGF ALDH1A1 3005/4885SIGMAR1 2315/4885KDM4E 2932/4885
US-20110086878-A1 Treatments for Neuropathy NGF, BDNF, NTRK2 ALDH1A1 358/4885SIGMAR1 957/4885KDM4E 4167/4885

“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.