SCHEMBL628348

SCHEMBL628348

O=C(O)[C@@H](c1ccccc1)N1CCCC1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
GAA P10253 1/20 0.54
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
XIAP P98170 1/20 0.51
HKDC1 Q2TB90 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
CHRM2 P08172 1/20 0.51
CHRM4 P08173 1/20 0.51
CHRM5 P08912 1/20 0.51
CHRM1 P11229 1/20 0.51
CHRM3 P20309 1/20 0.51
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
ACE P12821 1/20 0.49
USP9X Q93008 1/20 0.45

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
SCHEMBL15063146 1.00 LMNA (0.56) LMNAGAAALDH1A1KDM4EL3MBTL1
SCHEMBL23886963 0.90 CYP3A4 (0.59) LMNAGAAALDH1A1KDM4EL3MBTL1
SCHEMBL10299130 0.87 CYP3A4 (0.51) LMNAGAAALDH1A1KDM4EL3MBTL1
SCHEMBL3558729 0.86 LMNA (0.41) LMNAGAAALDH1A1KDM4EL3MBTL1
SCHEMBL3551369 0.86 LMNA (0.41) LMNAGAAALDH1A1KDM4EL3MBTL1
SCHEMBL10298823 0.84 CYP3A4 (0.49) LMNAGAAALDH1A1KDM4ECHRM2
SCHEMBL15355004 0.83 CHRM2 (0.49) LMNAGAAALDH1A1CHRM2CHRM4
SCHEMBL2756138 0.80 CYP3A4 (0.45) LMNAGAAALDH1A1KDM4ECHRM2
SCHEMBL3556189 0.80 MCHR1 (0.44) LMNAGAAALDH1A1TSHRCHRM2
SCHEMBL629067 0.80 CYP3A4 (0.45) LMNAGAAALDH1A1CHRM2CHRM4

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 10 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
US-9278922-B2 Anti-viral compounds ABBVIE INC. (US) 2016-03-08 US disclosed
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
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
US-20100267634-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-10-21 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 (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 LMNA 3118/4885GAA 223/4885ALDH1A1 2858/4885

“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.