SCHEMBL3452663

SCHEMBL3452663

Cc1ncc([C@@H]2CCCN2C)c(I)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CHRNA7 P36544 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL13017590 0.87 ALDH1A1 (0.39) ALDH1A1LMNACHRNA7TDP1
SCHEMBL14389394 0.85 ALDH1A1 (0.40) ALDH1A1LMNACHRNA7TDP1
SCHEMBL3452534 0.82 ALDH1A1 (0.39) ALDH1A1LMNACHRNA7TDP1
SCHEMBL13017596 0.77 CHRNB2 (0.43) ALDH1A1LMNACHRNA7TDP1
SCHEMBL14961248 0.76 ALDH1A1 (0.42) ALDH1A1LMNACHRNA7TDP1
SCHEMBL3453953 0.75
SCHEMBL14747253 0.75 ALDH1A1 (0.41) ALDH1A1LMNACHRNA7TDP1
SCHEMBL30866557 0.74 CHRNB2 (0.46) CHRNA7
SCHEMBL31019632 0.74 CHRNB2 (0.46) CHRNA7
SCHEMBL27199840 0.74 CHRNB2 (0.46) CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131015-A1 SYNTHESIS AND REGIOSELECTIVE SUBSTITUTION OF 6-HALO- AND 6-ALKOXY NICOTINE DERIVATIVES UNIV NORTH CAROLINA STATE (US) 2013-05-23 US disclosed
US-20130131015-A1 SYNTHESIS AND REGIOSELECTIVE SUBSTITUTION OF 6-HALO- AND 6-ALKOXY NICOTINE DERIVATIVES UNIV NORTH CAROLINA STATE (US) 2013-05-23 US disclosed
US-20130131015-A1 SYNTHESIS AND REGIOSELECTIVE SUBSTITUTION OF 6-HALO- AND 6-ALKOXY NICOTINE DERIVATIVES UNIV NORTH CAROLINA STATE (US) 2013-05-23 US disclosed
US-8389732-B2 Synthesis and regioselective substitution of 6-halo- and 6-alkoxy nicotine derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2013-03-05 US disclosed
US-8389732-B2 Synthesis and regioselective substitution of 6-halo- and 6-alkoxy nicotine derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2013-03-05 US disclosed
US-8389732-B2 Synthesis and regioselective substitution of 6-halo- and 6-alkoxy nicotine derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2013-03-05 US disclosed
US-20100331323-A1 SYNTHESIS AND REGIOSELECTIVE SUBSTITUTION OF 6-HALO- AND 6-ALKOXY NICOTINE DERIVATIVES COMINS DANIEL L 2010-12-30 US disclosed
US-20100331323-A1 SYNTHESIS AND REGIOSELECTIVE SUBSTITUTION OF 6-HALO- AND 6-ALKOXY NICOTINE DERIVATIVES COMINS DANIEL L 2010-12-30 US disclosed
US-20100331323-A1 SYNTHESIS AND REGIOSELECTIVE SUBSTITUTION OF 6-HALO- AND 6-ALKOXY NICOTINE DERIVATIVES COMINS DANIEL L 2010-12-30 US disclosed
US-7820826-B2 Synthesis and regioselective substitution of 6-halo-and 6-alkoxy nicotine derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2010-10-26 US disclosed
US-7820826-B2 Synthesis and regioselective substitution of 6-halo-and 6-alkoxy nicotine derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2010-10-26 US disclosed
US-7820826-B2 Synthesis and regioselective substitution of 6-halo-and 6-alkoxy nicotine derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2010-10-26 US disclosed
EP-2007748-A2 SYNTHESIS AND REGIOSELECTIVE SUBSTITUTION OF 6-HALO- AND 6-ALKOXY NICOTINE DERIVATIVES North Carolina State University (US) 2008-12-31 EP disclosed
WO-2007126826-A2 SYNTHESIS AND REGIOSELECTIVE SUBSTITUTION OF 6-HALO- AND 6-ALKOXY NICOTINE DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2007-11-08 WO disclosed
US-20070232665-A1 SYNTHESIS AND REGIOSELECTIVE SUBSTITUTION OF 6-HALO-AND 6-ALKOXY NICOTINE DERIVATIVES NORTH CAROLINA STATE UNIVERSITY 2007-10-04 US disclosed
US-20070232665-A1 SYNTHESIS AND REGIOSELECTIVE SUBSTITUTION OF 6-HALO-AND 6-ALKOXY NICOTINE DERIVATIVES NORTH CAROLINA STATE UNIVERSITY 2007-10-04 US disclosed
US-20070232665-A1 SYNTHESIS AND REGIOSELECTIVE SUBSTITUTION OF 6-HALO-AND 6-ALKOXY NICOTINE DERIVATIVES NORTH CAROLINA STATE UNIVERSITY 2007-10-04 US 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 (3 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-20070232665-A1 SYNTHESIS AND REGIOSELECTIVE SUBSTITUTION OF 6-HALO-AND 6-ALKOXY NICOTINE DERIVATIVES CHRNA6, CHRNA7, CHRNA4 ALDH1A1 1366/4885LMNA 3806/4885CHRNA7 2/4885
US-20100331323-A1 SYNTHESIS AND REGIOSELECTIVE SUBSTITUTION OF 6-HALO- AND 6-ALKOXY NICOTINE DERIVATIVES CHRNA6, CHRNA7, CHRNA4 ALDH1A1 1366/4885LMNA 3806/4885CHRNA7 2/4885
US-20130131015-A1 SYNTHESIS AND REGIOSELECTIVE SUBSTITUTION OF 6-HALO- AND 6-ALKOXY NICOTINE DERIVATIVES CHRNA6, CHRNA7, CHRNA4 ALDH1A1 1366/4885LMNA 3806/4885CHRNA7 2/4885

“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.