SCHEMBL5992389

SCHEMBL5992389

CCC1CCCN1C(=O)C(NC(=O)OC)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.48
CYP2C9 P11712 5/20 0.48
NR1I2 O75469 2/20 0.48
ABCB11 O95342 1/20 0.48
OPRK1 P41145 1/20 0.48
KCNH2 Q12809 1/20 0.48
DPP4 P27487 3/20 0.47
DPP8 Q6V1X1 1/20 0.47
DPP9 Q86TI2 1/20 0.47
CYP1A2 P05177 3/20 0.46
CYP2D6 P10635 2/20 0.43
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ELANE P08246 2/20 0.40

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
SCHEMBL10281921 0.90 CYP3A4 (0.40) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL12075271 0.90 CYP3A4 (0.40) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL5995215 0.90 CYP3A4 (0.47) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL12727058 0.90 CYP3A4 (0.40) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL888863 0.88 CYP3A4 (0.47) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL888931 0.88 CYP3A4 (0.47) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL12824302 0.88 CYP3A4 (0.47) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL12824295 0.88 CYP3A4 (0.47) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL17850590 0.87 CYP3A4 (0.45) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL15976258 0.87 CYP3A4 (0.49) CYP3A4CYP2C9NR1I2ABCB11OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172290-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2012-07-05 US disclosed
US-20120115918-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2012-05-10 US disclosed
US-20100317568-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-12-16 US disclosed
US-20100267634-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-10-21 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-20100317568-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CYP3A4 1792/4885CYP2C9 3780/4885NR1I2 2411/4885
US-20100267634-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CYP3A4 1792/4885CYP2C9 3780/4885NR1I2 2411/4885
US-20120115918-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CYP3A4 1792/4885CYP2C9 3780/4885NR1I2 2411/4885
US-20120172290-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CYP3A4 1792/4885CYP2C9 3780/4885NR1I2 2411/4885

“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.