SCHEMBL155505

SCHEMBL155505

CC1(c2cccnc2)CCCN1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.43
CHRNA4 P43681 6/20 0.43
CHRNA7 P36544 3/20 0.43
CHRNA1 P02708 1/20 0.43
CHRNG P07510 1/20 0.43
CHRNB1 P11230 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRND Q07001 1/20 0.43
PARP1 P09874 4/20 0.36
PARP2 Q9UGN5 3/20 0.36
TNKS O95271 1/20 0.36
PARP14 Q460N5 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP12 Q9H0J9 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
PARP4 Q9UKK3 1/20 0.36
PARP3 Q9Y6F1 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL2173486 1.00 CHRNB2 (0.43) CHRNB2CHRNA4CHRNA7CHRNA1CHRNG
SCHEMBL16198316 1.00 CHRNB2 (0.43) CHRNB2CHRNA4CHRNA7CHRNA1CHRNG
SCHEMBL11285777 0.95 CHRNB2 (0.40) CHRNB2CHRNA4CHRNA7CHRNA1CHRNG
SCHEMBL246083 0.91 CHRNB2 (0.43) CHRNB2CHRNA4CHRNA7CHRNA1CHRNG
SCHEMBL15995119 0.78 OPRM1 (0.42) PARP1PARP2TNKSPARP14PARP10
SCHEMBL21312268 0.78 OPRM1 (0.42) PARP1PARP2TNKSPARP14PARP10
SCHEMBL15995122 0.78 OPRM1 (0.42) PARP1PARP2TNKSPARP14PARP10
SCHEMBL32681150 0.77 PARP1 (0.33) PARP1PARP2TNKSPARP14PARP10
SCHEMBL11240260 0.73 VNN1 (0.43) CHRNB2CHRNA4CHRNA7CHRNA1CHRNG
SCHEMBL10984276 0.73 VNN1 (0.43) CHRNB2CHRNA4CHRNA7CHRNA1CHRNG

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 CHRNB2 3/4885CHRNA4 11/4885CHRNA7 4/4885

“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.