SCHEMBL22491559

SCHEMBL22491559

COc1ccc([C@H](c2ccccc2)C2CCN(C(=O)c3ccc4c(c3)NC(=O)CO4)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
NR3C2 P08235 3/20 0.49
MGLL Q99685 2/20 0.48
GAA P10253 1/20 0.47
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
POLB P06746 1/20 0.44
LMNA P02545 2/20 0.44
TRPV1 Q8NER1 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL29734540 1.00 ALDH1A1 (0.50) ALDH1A1NR3C2MGLLGAADRD2
SCHEMBL22491357 1.00 ALDH1A1 (0.50) ALDH1A1NR3C2MGLLGAADRD2
SCHEMBL29734453 1.00 ALDH1A1 (0.50) ALDH1A1NR3C2MGLLGAADRD2
SCHEMBL22491407 1.00 ALDH1A1 (0.50) ALDH1A1NR3C2MGLLGAADRD2
SCHEMBL29734418 1.00 ALDH1A1 (0.50) ALDH1A1NR3C2MGLLGAADRD2
SCHEMBL22491391 0.93 TRPV1 (0.49) ALDH1A1NR3C2MGLLGAAMAPT
SCHEMBL29734553 0.93 TRPV1 (0.49) ALDH1A1NR3C2MGLLGAAMAPT
SCHEMBL22491414 0.93 TRPV1 (0.49) ALDH1A1NR3C2MGLLGAAMAPT
SCHEMBL22491418 0.93 TRPV1 (0.49) ALDH1A1NR3C2MGLLGAAMAPT
SCHEMBL29734535 0.93 TRPV1 (0.49) ALDH1A1NR3C2MGLLGAAMAPT

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 9 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
EP-3717477-A1 NEW HETEROCYCLIC COMPOUNDS H. Hoffnabb-La Roche Ag (CH) 2020-10-07 EP 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
US-20200392125-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2020-12-17 US disclosed
EP-3717477-A1 NEW HETEROCYCLIC COMPOUNDS H. Hoffnabb-La Roche Ag (CH) 2020-10-07 EP 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 ALDH1A1 231/4885NR3C2 2484/4885MGLL 1532/4885
US-20200392125-A1 HETEROCYCLIC COMPOUNDS LPXN, MLX, CCNY ALDH1A1 231/4885NR3C2 2484/4885MGLL 1532/4885

“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.