SCHEMBL176092

SCHEMBL176092

Cc1ncccc1C(N)CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.46
CTSA P10619 6/20 0.43
FFAR1 O14842 1/20 0.42
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40

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
SCHEMBL4618611 0.83 CTSA (0.40) P2RX7CTSAFFAR1
SCHEMBL15173988 0.80 CTSA (0.38) P2RX7CTSA
SCHEMBL8591958 0.79 P2RX7 (0.45) P2RX7MKNK1MKNK2
SCHEMBL30608837 0.79 P2RX7 (0.40) P2RX7MKNK1MKNK2
SCHEMBL9093044 0.79 P2RX7 (0.40) P2RX7MKNK1MKNK2
SCHEMBL7799009 0.79 CTSA (0.43) P2RX7CTSAFFAR1
SCHEMBL6178284 0.75 P2RX7 (0.43) P2RX7MKNK1MKNK2
SCHEMBL2320843 0.75 CTSA (0.47) CTSA
SCHEMBL5720952 0.75 CTSA (0.47) CTSA
SCHEMBL2320833 0.75 CTSA (0.47) CTSA

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 P2RX7 246/4885CTSA 4398/4885FFAR1 977/4885

“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.