SCHEMBL628344

SCHEMBL628344

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.47
NR1H3 Q13133 2/20 0.47
CYP2D6 P10635 2/20 0.42
SRC P12931 1/20 0.42
NR4A2 P43354 1/20 0.42
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
CYP3A4 P08684 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
GLA P06280 1/20 0.40
TSHR P16473 1/20 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
SCHEMBL27855089 1.00 NR1H2 (0.47) NR1H2NR1H3CYP2D6SRCNR4A2
SCHEMBL8535379 0.89 HTR2A (0.44) NR1H2NR1H3CYP2D6LMNASMN1; SMN2
SCHEMBL12292188 0.86 ALDH1A1 (0.43) NR1H2NR1H3CYP2D6LMNASMN1; SMN2
SCHEMBL10298817 0.84 PGR (0.40) NR1H2NR1H3CYP2D6LMNASMN1; SMN2
SCHEMBL13379550 0.83 NR4A2 (0.49) NR1H2NR1H3CYP2D6SRCNR4A2
SCHEMBL753794 0.83 NR4A2 (0.49) NR1H2NR1H3CYP2D6SRCNR4A2
SCHEMBL18930348 0.82 NPY5R (0.40) NR1H2NR1H3CYP2D6LMNACYP1A2
SCHEMBL2756116 0.82 HPGD (0.40) NR1H2NR1H3CYP2D6LMNASMN1; SMN2
SCHEMBL2683020 0.81 PGR (0.50) NR1H2NR1H3CYP2D6SRCLMNA
SCHEMBL629045 0.81 PGR (0.50) NR1H2NR1H3CYP2D6SRCLMNA

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 11 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
CN-102459165-A Anti-viral compounds ABBOTT LAB 2012-05-16 CN 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 NR1H2 257/4885NR1H3 185/4885CYP2D6 3539/4885

“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.