SCHEMBL3558719

SCHEMBL3558719

CC(C)(C)[C@H](NC(=O)O)C(=O)NNCc1ccc(-c2ccccn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UGT1A1 P22309 3/20 0.47
MLNR O43193 1/20 0.47
NR1I2 O75469 1/20 0.47
SLCO2B1 O94956 1/20 0.47
ABCB11 O95342 1/20 0.47
ABCB1 P08183 1/20 0.47
CCKAR P32238 1/20 0.47
OPRK1 P41145 1/20 0.47
GHSR Q92847 1/20 0.47
SLCO1B3 Q9NPD5 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
SLCO1B1 Q9Y6L6 1/20 0.47
HCAR2 Q8TDS4 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
KCNH2 Q12809 1/20 0.41
EPHX1 P07099 1/20 0.41
CYP2D6 P10635 1/20 0.41
EPHX2 P34913 1/20 0.41
TRPV1 Q8NER1 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
SCHEMBL10204005 0.89 UGT1A1 (0.56) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL3807624 0.89 UGT1A1 (0.56) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL1705380 0.89 UGT1A1 (0.56) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL3550406 0.86 HCAR2 (0.43) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL17635677 0.81 TRPV1 (0.43) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL893594 0.81 HCAR2 (0.55) HCAR2EPHX1CYP2D6EPHX2CHRM4
SCHEMBL10204004 0.79 UGT1A1 (0.41) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL6692 0.76 TRPV1 (0.44) HCAR2EPHX1CYP2D6EPHX2TRPV1
SCHEMBL30637051 0.76 TRPV1 (0.44) HCAR2EPHX1CYP2D6EPHX2TRPV1
SCHEMBL2175634 0.76 EPHX1 (0.42) HCAR2EPHX1CYP2D6EPHX2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697348-B1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LAB (US) 2011-12-28 EP disclosed
US-7696226-B2 HIV protease inhibiting compounds ABBOTT LABORATORIES (US) 2010-04-13 US disclosed
US-20050159469-A1 HIV protease inhibiting compounds ABBVIE INC. 2005-07-21 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-20050159469-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP UGT1A1 2307/4885MLNR 3723/4885NR1I2 3691/4885

“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.