SCHEMBL21138517

SCHEMBL21138517

O=C1C[C@H](C(=O)O)C(c2ccccc2)N1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
ALDH1A1 P00352 3/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C1 Q04828 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
USP2 O75604 1/20 0.37
GBA1 P04062 1/20 0.37

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
SCHEMBL21057929 1.00 LMNA (0.40) LMNAALDH1A1AKR1C3AKR1C1SMN1; SMN2
SCHEMBL21057931 1.00 LMNA (0.40) LMNAALDH1A1AKR1C3AKR1C1SMN1; SMN2
SCHEMBL21057926 1.00 LMNA (0.40) LMNAALDH1A1AKR1C3AKR1C1SMN1; SMN2
SCHEMBL21138531 0.85 TDP1 (0.40) LMNAALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL21057907 0.85 TDP1 (0.40) LMNAALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL21104519 0.85 TDP1 (0.40) LMNAALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL29508338 0.85 TDP1 (0.40) LMNAALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL24378373 0.83 TP53 (0.48) LMNAALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL21058142 0.83 TP53 (0.48) LMNAALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL24282688 0.83 CYP2C19 (0.42) LMNAALDH1A1

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-20230265078-A1 SUBSTITUTED PYRROLIDINE AMINES AND AMIDES VI GRUENENTHAL GMBH (DE) 2023-08-24 US disclosed
US-20230265078-A1 SUBSTITUTED PYRROLIDINE AMINES AND AMIDES VI GRUENENTHAL GMBH (DE) 2023-08-24 US disclosed
EP-3728233-B1 SUBSTITUTED PYRROLIDINE AMIDES II GRUENENTHAL GMBH (DE) 2022-04-20 EP disclosed
US-20220089573-A1 SUBSTITUTED PYRROLIDINE AMIDES III Grünenthal GmbH (DE) 2022-03-24 US disclosed
WO-2022008705-A1 SUBSTITUTED PYRROLIDINE AMINES AND AMIDES AS MEDIATOR OF THE GLUCOCORTOID RECEPTOR Grünenthal GmbH (DE) 2022-01-13 WO disclosed
US-20190185455-A1 Substituted Pyrrolidine Amides I GRUENENTHAL GMBH (DE) 2019-06-20 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 (3 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-20220089573-A1 SUBSTITUTED PYRROLIDINE AMIDES III NR3C1, NR3C2, MC2R LMNA 4699/4885ALDH1A1 1199/4885AKR1C3 213/4885
US-20230265078-A1 SUBSTITUTED PYRROLIDINE AMINES AND AMIDES VI NR3C1, MC2R, NR3C2 LMNA 4500/4885ALDH1A1 1331/4885AKR1C3 267/4885
US-20190185455-A1 Substituted Pyrrolidine Amides I NR3C1, NR3C2, NR5A1 LMNA 4685/4885ALDH1A1 814/4885AKR1C3 253/4885

“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.