SCHEMBL2980362

SCHEMBL2980362

OCCN1CCCC1Cc1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.53
CHRNB2 P17787 3/20 0.53
CHRNA4 P43681 3/20 0.53
HRH3 Q9Y5N1 1/20 0.53
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
ADRA1D P25100 3/20 0.44
ADRA1A P35348 3/20 0.44
ADRA1B P35368 3/20 0.44
CHRNA1 P02708 1/20 0.44
CHRNB1 P11230 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNB3 Q05901 1/20 0.44

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
SCHEMBL14612216 0.86 HRH3 (0.56) CHRNA7CHRNB2CHRNA4HRH3KDM4E
SCHEMBL13995242 0.83 HRH3 (0.53) CHRNA7CHRNB2CHRNA4HRH3KDM4E
SCHEMBL6174357 0.83 ALDH1A1 (0.51) ADRA1DADRA1AADRA1B
SCHEMBL12090225 0.80 CHRNB2 (0.62) CHRNA7CHRNB2CHRNA4HRH3CHRM2
SCHEMBL14983619 0.77 CHRNA7 (0.55) CHRNA7CHRNB2CHRNA4HRH3KDM4E
SCHEMBL21937561 0.72 KDM4E (0.60) CHRNA7CHRNB2CHRNA4HRH3KDM4E
SCHEMBL27364546 0.70 ADRA1D (0.50) ADRA1DADRA1AADRA1B
SCHEMBL12090436 0.70 CHRM2 (0.64) CHRNA7CHRNB2CHRNA4HRH3KDM4E
SCHEMBL703479 0.70 CHRNA7 (1.00) CHRNA7CHRNB2CHRNA4
SCHEMBL31375369 0.70 CHRNA7 (1.00) CHRNA7CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324064-A1 NOVEL ANALOGS OF CHOLINE FOR NEUROPROTECTION AND COGNITIVE ENHANCEMENT IN NEURODEGENERATIVE DISORDERS MEDICAL COLLEGE OF GEORGIA RESEARCH INSTITUTE (US) 2010-12-23 US disclosed
US-7786147-B2 Analogs of choline for neuroprotection and cognitive enhancement in neurodegenerative disorders Medical College of Georgia Research Institute. (US) 2010-08-31 US disclosed
US-20050227993-A1 Novel analogs of choline for neuroprotection and cognitive enhancement in neurodegenerative disorders MEDICAL COLLEGE OF GEORGIA RESEARCH INSTITUTE 2005-10-13 US disclosed
WO-2003008559-A2 NOVEL ANALOGS OF CHOLINE FOR NEUROPROTECTION AND COGNITIVE ENHANCEMENT IN NEURODEGENERATIVE DISORDERS MEDICAL COLLEGE OF GEORGIA RESEARCH INSTITUTE (US) 2003-01-30 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 (2 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-20100324064-A1 NOVEL ANALOGS OF CHOLINE FOR NEUROPROTECTION AND COGNITIVE ENHANCEMENT IN NEURODEGENERATIVE DISORDERS CDR2, CHAT, CHRNA2 CHRNA7 33/4885CHRNB2 4/4885CHRNA4 9/4885
US-20050227993-A1 Novel analogs of choline for neuroprotection and cognitive enhancement in neurodegenerative disorders CDR2, CHAT, CHRNA2 CHRNA7 33/4885CHRNB2 4/4885CHRNA4 9/4885

“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.