SCHEMBL22773203

SCHEMBL22773203

COc1cccc(C(c2ccc(F)cc2)C2CCN(C(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.52
HSD11B1 P28845 1/20 0.49
NR3C2 P08235 9/20 0.46
NR3C1 P04150 6/20 0.46
TRPV1 Q8NER1 1/20 0.46
PGR P06401 2/20 0.46
CYP2C9 P11712 1/20 0.46
THRB P10828 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL29734412 1.00 MGLL (0.52) MGLLHSD11B1NR3C2NR3C1TRPV1
SCHEMBL22773241 1.00 MGLL (0.52) MGLLHSD11B1NR3C2NR3C1TRPV1
SCHEMBL29734538 1.00 MGLL (0.52) MGLLHSD11B1NR3C2NR3C1TRPV1
SCHEMBL22773202 1.00 MGLL (0.52) MGLLHSD11B1NR3C2NR3C1TRPV1
SCHEMBL22491414 0.94 TRPV1 (0.49) MGLLNR3C2TRPV1CYP2C9THRB
SCHEMBL29734488 0.94 TRPV1 (0.49) MGLLNR3C2TRPV1CYP2C9THRB
SCHEMBL29734553 0.94 TRPV1 (0.49) MGLLNR3C2TRPV1CYP2C9THRB
SCHEMBL22491418 0.94 TRPV1 (0.49) MGLLNR3C2TRPV1CYP2C9THRB
SCHEMBL22491391 0.94 TRPV1 (0.49) MGLLNR3C2TRPV1CYP2C9THRB
SCHEMBL29734535 0.94 TRPV1 (0.49) MGLLNR3C2TRPV1CYP2C9THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11420961-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2022-08-23 US claimed
EP-3717477-B1 NEW HETEROCYCLIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2022-07-20 EP claimed
US-20200392125-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2020-12-17 US claimed
US-11420961-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2022-08-23 US disclosed
EP-3717477-B1 NEW HETEROCYCLIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2022-07-20 EP disclosed
US-20200392125-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2020-12-17 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-11420961-B2 Heterocyclic compounds LPXN, MLX, CCNY MGLL 1532/4885HSD11B1 1138/4885NR3C2 2484/4885
US-20200392125-A1 HETEROCYCLIC COMPOUNDS LPXN, MLX, CCNY MGLL 1532/4885HSD11B1 1138/4885NR3C2 2484/4885

“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.