SCHEMBL629067

SCHEMBL629067

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
LMNA P02545 3/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CHRM2 P08172 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
USP9X Q93008 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
GAA P10253 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 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
SCHEMBL629068 1.00 CYP3A4 (0.45) CYP3A4CYP2C19LMNAALDH1A1KMT2A
SCHEMBL10299130 0.80 CYP3A4 (0.51) CYP3A4CYP2C19LMNAALDH1A1KMT2A
SCHEMBL15063146 0.80 LMNA (0.56) CYP3A4CYP2C19LMNAALDH1A1KMT2A
SCHEMBL628348 0.80 LMNA (0.56) CYP3A4CYP2C19LMNAALDH1A1KMT2A
SCHEMBL2554772 0.79 LMNA (0.67) CYP3A4CYP2C19LMNAALDH1A1KMT2A
SCHEMBL10298823 0.78 CYP3A4 (0.49) CYP3A4CYP2C19LMNAALDH1A1KMT2A
SCHEMBL627950 0.78 LMNA (0.69) CYP3A4CYP2C19LMNAALDH1A1KMT2A
SCHEMBL824995 0.78 LMNA (0.69) CYP3A4CYP2C19LMNAALDH1A1KMT2A
SCHEMBL627949 0.78 LMNA (0.69) CYP3A4CYP2C19LMNAALDH1A1KMT2A
SCHEMBL15355004 0.77 CHRM2 (0.49) CYP3A4CYP2C19LMNAALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9278922-B2 Anti-viral compounds ABBVIE INC. (US) 2016-03-08 US disclosed
EP-2419404-B1 ANTI-VIRAL COMPOUNDS ABBVIE INC (US) 2015-11-04 EP disclosed
EP-2419404-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2012-02-22 EP disclosed
WO-2010120935-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-10-21 WO 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 (1 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-20100267634-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CYP3A4 1792/4885CYP2C19 4120/4885LMNA 3118/4885

“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.