SCHEMBL157279

SCHEMBL157279

CN1CCC[C@@]1(CN)c1cccnc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
CHRNB2 P17787 4/20 0.36
CHRNA4 P43681 4/20 0.36
CHRNA7 P36544 2/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
CHRNA2 Q15822 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTR3E A5X5Y0 1/20 0.35
PSIP1 O75475 1/20 0.35

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
SCHEMBL523968 1.00 MEN1 (0.36) MEN1KMT2ACHRM2CHRM4CHRM5
Succinic Acid SCHEMBL6376630 0.90 EPHX2 (0.43) MEN1KMT2AALDH1A1LMNASLC6A2
SCHEMBL156155 0.87 MEN1 (0.37) MEN1KMT2ACHRM2CHRM4CHRM5
SCHEMBL1538392 0.87 MEN1 (0.37) MEN1KMT2ACHRM2CHRM4CHRM5
SCHEMBL157125 0.86 MEN1 (0.39) MEN1KMT2ACHRM2CHRM4CHRM5
SCHEMBL968705 0.86 MEN1 (0.39) MEN1KMT2ACHRM2CHRM4CHRM5
SCHEMBL159477 0.84 MEN1 (0.36) MEN1KMT2ACHRM2CHRM4CHRM5
SCHEMBL156223 0.84 MEN1 (0.36) MEN1KMT2ACHRM2CHRM4CHRM5
SCHEMBL175825 0.82 MEN1 (0.34) MEN1KMT2ACHRM2CHRM4CHRM5
SCHEMBL2811768 0.82 MEN1 (0.44) MEN1KMT2AALDH1A1LMNACHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611788-B1 NICOTINE COMPOUNDS AND ANALOGS THEREOF, SYNTHETIC METHODS OF MAKING COMPOUNDS, AND METHODS OF USE UNIV FLORIDA (US) 2017-04-12 EP disclosed
US-9440948-B2 Nicotine compounds and analogs thereof, synthetic methods of making compounds, and methods of use UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2016-09-13 US disclosed
EP-2611788-A2 NICOTINE COMPOUNDS AND ANALOGS THEREOF, SYNTHETIC METHODS OF MAKING COMPOUNDS, AND METHODS OF USE University of Florida Research Foundation, Incorporated (US) 2013-07-10 EP disclosed
US-20130157995-A1 NICOTINE COMPOUNDS AND ANALOGS THEREOF, SYNTHETIC METHODS OF MAKING COMPOUNDS, AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-06-20 US disclosed
WO-2012031220-A2 NICOTINE COMPOUNDS AND ANALOGS THEREOF, SYNTHETIC METHODS OF MAKING COMPOUNDS, AND METHODS OF USE UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-03-08 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 (1 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-20130157995-A1 NICOTINE COMPOUNDS AND ANALOGS THEREOF, SYNTHETIC METHODS OF MAKING COMPOUNDS, AND METHODS OF USE CHRNG, CHRNB1, CHRNB2 MEN1 2523/4885KMT2A 992/4885CHRM2 16/4885

“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.