SCHEMBL9987192

SCHEMBL9987192

CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)N(N)c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.50
CHRM2 P08172 2/20 0.42
CHRM1 P11229 2/20 0.42
CHRM3 P20309 2/20 0.42
HSD11B1 P28845 1/20 0.38
KCNK3 O14649 2/20 0.36
KCNK9 Q9NPC2 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
FPR2 P25090 3/20 0.34
RORC P51449 2/20 0.33
GPR119 Q8TDV5 2/20 0.33

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
SCHEMBL203804 1.00 PREP (0.50) PREPCHRM2CHRM1CHRM3HSD11B1
SCHEMBL17644208 0.84 PREP (0.47) PREPCHRM2CHRM1CHRM3HSD11B1
SCHEMBL9957852 0.83 AGTR2 (0.35) PREPCHRM2CHRM1CHRM3CYP1A2
SCHEMBL4044444 0.80 PREP (0.45) PREPCHRM2CHRM1CHRM3HSD11B1
SCHEMBL31122479 0.77 PREP (0.51) PREPCHRM2CHRM1CHRM3HSD11B1
SCHEMBL2706103 0.76 PREP (0.49) PREPCHRM2CHRM1CHRM3HSD11B1
SCHEMBL15348426 0.75 PREP (0.48) PREPCHRM2CHRM1CHRM3HSD11B1
SCHEMBL12437622 0.75 PREP (0.48) PREPCHRM2CHRM1CHRM3HSD11B1
SCHEMBL9977163 0.74 PREP (0.47) PREPCHRM2CHRM1CHRM3HSD11B1
SCHEMBL203928 0.74 PREP (0.47) PREPCHRM2CHRM1CHRM3HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110306541-A1 METHODS FOR TREATING HCV GILEAD SCIENCES, INC. (US) 2011-12-15 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-20110306541-A1 METHODS FOR TREATING HCV HAVCR2, HCCS, LIPC PREP 942/4885CHRM2 3554/4885CHRM1 4027/4885

“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.