SCHEMBL3268486

SCHEMBL3268486

CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)[C@H](C)OC

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.44
KCNH2 Q12809 2/20 0.43
CYP3A4 P08684 8/20 0.40
CYP2C9 P11712 7/20 0.40
CYP2C19 P33261 5/20 0.40
CYP2D6 P10635 2/20 0.40
CYP1A2 P05177 2/20 0.40
NR1I2 O75469 1/20 0.39
ABCB11 O95342 1/20 0.39
OPRK1 P41145 1/20 0.39
PEPD P12955 1/20 0.39
XPNPEP1 Q9NQW7 1/20 0.39
MMP1 P03956 2/20 0.39
MMP13 P45452 2/20 0.39
ADAM17 P78536 2/20 0.39
MMP3 P08254 1/20 0.39

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
SCHEMBL3269632 1.00 ELANE (0.44) ELANEKCNH2CYP3A4CYP2C9CYP2C19
SCHEMBL10299121 0.91 KCNH2 (0.44) ELANEKCNH2CYP3A4CYP2C9CYP2C19
SCHEMBL5987813 0.91 KCNH2 (0.44) ELANEKCNH2CYP3A4CYP2C9CYP2C19
SCHEMBL3265287 0.90 ELANE (0.52) ELANEKCNH2CYP3A4CYP2C9NR1I2
SCHEMBL5992849 0.90 ELANE (0.52) ELANEKCNH2CYP3A4CYP2C9NR1I2
SCHEMBL8524556 0.89 KCNH2 (0.43) ELANEKCNH2CYP3A4CYP2C9CYP2C19
SCHEMBL21641823 0.87 ACE (0.50) KCNH2PEPD
SCHEMBL21641824 0.87 ACE (0.50) KCNH2PEPD
SCHEMBL18913820 0.87 ACE (0.50) KCNH2PEPD
SCHEMBL18932131 0.87 FKBP5 (0.45) ELANEKCNH2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10028937-B2 Anti-viral compounds ABBVIE INC. (US) 2018-07-24 US disclosed
US-20170157104-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 US disclosed
US-20170157105-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-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
US-20120004196-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-01-05 US disclosed
US-20110207699-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-08-25 US disclosed
US-20100317568-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-12-16 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 (10 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-20100317568-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ELANE 986/4885KCNH2 4523/4885CYP3A4 1792/4885
US-10028937-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS ELANE 986/4885KCNH2 4523/4885CYP3A4 1792/4885
US-20140315792-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS ELANE 986/4885KCNH2 4523/4885CYP3A4 1792/4885
US-20140155382-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS ELANE 986/4885KCNH2 4523/4885CYP3A4 1792/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ELANE 986/4885KCNH2 4523/4885CYP3A4 1792/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ELANE 986/4885KCNH2 4523/4885CYP3A4 1792/4885
US-20150087618-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ELANE 986/4885KCNH2 4523/4885CYP3A4 1792/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ELANE 986/4885KCNH2 4523/4885CYP3A4 1792/4885
US-20150218194-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ELANE 986/4885KCNH2 4523/4885CYP3A4 1792/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ELANE 986/4885KCNH2 4523/4885CYP3A4 1792/4885

“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.