SCHEMBL15765607

SCHEMBL15765607

COC(=O)N[C@H](C(=O)N1CCC[C@H]1C)[C@H](C)OC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.42
CYP2C9 P11712 5/20 0.42
KCNH2 Q12809 2/20 0.42
NR1I2 O75469 1/20 0.42
ABCB11 O95342 1/20 0.42
OPRK1 P41145 1/20 0.42
DPP4 P27487 3/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
CYP1A2 P05177 3/20 0.38
CYP2D6 P10635 2/20 0.37
PREP P48147 1/20 0.35
FAP Q12884 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
SCHEMBL18653063 1.00 CYP3A4 (0.42) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL15389780 1.00 CYP3A4 (0.42) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL16479374 1.00 CYP3A4 (0.42) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL20707056 1.00 CYP3A4 (0.42) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL3266203 1.00 CYP3A4 (0.42) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL10140841 0.89 CYP3A4 (0.51) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL12772923 0.89 CYP3A4 (0.51) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL15765645 0.89 CYP3A4 (0.51) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL19497190 0.89 CYP3A4 (0.51) CYP3A4CYP2C9KCNH2NR1I2ABCB11
SCHEMBL3269007 0.89 CYP3A4 (0.51) CYP3A4CYP2C9KCNH2NR1I2ABCB11

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 8 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-20170157105-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 US disclosed
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-8921514-B2 Anti-viral compounds ABBVIE INC. (US) 2014-12-30 US disclosed
US-20140155382-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. (US) 2014-06-05 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 (4 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-10028937-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS CYP3A4 1792/4885CYP2C9 3780/4885KCNH2 4523/4885
US-20140155382-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS CYP3A4 1792/4885CYP2C9 3780/4885KCNH2 4523/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CYP3A4 1792/4885CYP2C9 3780/4885KCNH2 4523/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CYP3A4 1792/4885CYP2C9 3780/4885KCNH2 4523/4885

“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.