SCHEMBL10299130

SCHEMBL10299130

CC(=O)C(c1ccccc1)N1CCCC1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
ALDH1A1 P00352 3/20 0.45
LMNA P02545 3/20 0.45
ACE P12821 1/20 0.44
GAA P10253 1/20 0.44
USP9X Q93008 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43
CA4 P22748 1/20 0.43

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
SCHEMBL23904643 0.90 CYP3A4 (0.60) CYP3A4CYP2C19ALDH1A1LMNAACE
SCHEMBL628348 0.87 LMNA (0.56) CYP3A4CYP2C19CHRM2CHRM4CHRM5
SCHEMBL15063146 0.87 LMNA (0.56) CYP3A4CYP2C19CHRM2CHRM4CHRM5
SCHEMBL10298823 0.85 CYP3A4 (0.49) CYP3A4CYP2C19CHRM2CHRM4CHRM5
SCHEMBL15355004 0.84 CHRM2 (0.49) CYP3A4CYP2C19CHRM2CHRM4CHRM5
SCHEMBL2756138 0.81 CYP3A4 (0.45) CYP3A4CYP2C19CHRM2CHRM4CHRM5
SCHEMBL629068 0.80 CYP3A4 (0.45) CYP3A4CYP2C19CHRM2CHRM4CHRM5
SCHEMBL629067 0.80 CYP3A4 (0.45) CYP3A4CYP2C19CHRM2CHRM4CHRM5
SCHEMBL2132365 0.77 CYP2D6 (0.50) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL23886963 0.77 CYP3A4 (0.59) CYP3A4CYP2C19CHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170157104-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 US disclosed
EP-2678334-B1 ANTI-VIRAL COMPOUNDS ABBVIE BAHAMAS LTD (BS) 2017-03-22 EP disclosed
US-9586978-B2 Anti-viral compounds ABBVIE INC. (US) 2017-03-07 US disclosed
US-9394279-B2 Anti-viral compounds ABBVIE INC. (US) 2016-07-19 US disclosed
US-9278922-B2 Anti-viral compounds ABBVIE INC. (US) 2016-03-08 US disclosed
EP-2692346-B1 An antiviral 1-phenyl-2,5-dibenzimidazol-5-yl-pyrrolidine derivative ABBVIE BAHAMAS LTD (BS) 2015-12-02 EP disclosed
US-20150218194-A1 Anti-Viral Compounds ABBVIE INC. (US) 2015-08-06 US disclosed
US-9006387-B2 Anti-viral compounds ABBVIE INC. (US) 2015-04-14 US disclosed
US-20150087618-A1 Anti-Viral Compounds ABBVIE INC. (US) 2015-03-26 US disclosed
US-8937150-B2 Anti-viral compounds ABBVIE INC. (US) 2015-01-20 US disclosed
US-8921514-B2 Anti-viral compounds ABBVIE INC. (US) 2014-12-30 US disclosed
US-20140315792-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES 2014-10-23 US disclosed
US-20140155382-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. (US) 2014-06-05 US disclosed
EP-2368890-B1 Hepatitis C virus inhibitors ABBVIE BAHAMAS LTD (BS) 2013-04-17 EP disclosed
US-20120172290-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2012-07-05 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 (6 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-20140315792-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS CYP3A4 1792/4885CYP2C19 4120/4885CHRM2 4875/4885
US-20140155382-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS CYP3A4 1792/4885CYP2C19 4120/4885CHRM2 4875/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CYP3A4 1792/4885CYP2C19 4120/4885CHRM2 4875/4885
US-20150087618-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CYP3A4 1792/4885CYP2C19 4120/4885CHRM2 4875/4885
US-20150218194-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CYP3A4 1792/4885CYP2C19 4120/4885CHRM2 4875/4885
US-20120172290-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CYP3A4 1792/4885CYP2C19 4120/4885CHRM2 4875/4885

“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.