SCHEMBL20108780

SCHEMBL20108780

CC(C)(C)n1ncc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1-n1cccn1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
CASR P41180 5/20 0.44
TSHR P16473 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
HTT P42858 1/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CNR2 P34972 8/20 0.41
FAAH O00519 1/20 0.41
PABPC1 P11940 1/20 0.40
CNR1 P21554 5/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL13294019 0.85 HSD11B1 (0.44)
SCHEMBL1407021 0.82 HSD11B1 (0.54) HTTCNR2CNR1
SCHEMBL1407130 0.81 POLB (0.45) POLBCASRTSHRKDM4EALDH1A1
SCHEMBL1407081 0.81 POLB (0.46) POLBCASRTSHRKDM4EALDH1A1
SCHEMBL13294003 0.80 HSD11B1 (0.59)
SCHEMBL4720680 0.80 HSD11B1 (0.59)
SCHEMBL20108779 0.80 HSD11B1 (0.38) KDM4EALDH1A1HSD17B10CNR2CNR1
SCHEMBL13294020 0.80 HSD11B1 (0.43)
SCHEMBL1406992 0.79 POLB (0.43) POLBCASRTSHRKDM4EALDH1A1
SCHEMBL14413259 0.79 HCRTR1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10894054-B2 FXR agonist compositions for combination therapy INTERCEPT PHARMACEUTICALS, INC. (US) 2021-01-19 US disclosed
US-20180117065-A1 PHARMACEUTICAL COMPOSITIONS FOR COMBINATION THERAPY INTERCEPT PHARMACEUTICALS, INC. 2018-05-03 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 (2 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-10894054-B2 FXR agonist compositions for combination therapy GPR119, FXR1, NR1H4 POLB 3923/4885CASR 905/4885TSHR 357/4885
US-20180117065-A1 PHARMACEUTICAL COMPOSITIONS FOR COMBINATION THERAPY GPR119, FABP1, SLC10A1 POLB 4039/4885CASR 1725/4885TSHR 833/4885

“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.