SCHEMBL21058142

SCHEMBL21058142

O=C1C[C@H](C(=O)O)[C@@H](c2cccc(Cl)c2)N1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.48
MDM2 Q00987 1/20 0.48
SLC6A3 Q01959 4/20 0.42
HTT P42858 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC9A1 P19634 1/20 0.40
GAA P10253 3/20 0.40
MAPT P10636 2/20 0.40
TSHR P16473 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
LMNA P02545 1/20 0.39
SLC6A2 P23975 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL21058144 1.00 TP53 (0.48) TP53MDM2SLC6A3HTTALDH1A1
SCHEMBL21058147 1.00 TP53 (0.48) TP53MDM2SLC6A3HTTALDH1A1
SCHEMBL24378373 1.00 TP53 (0.48) TP53MDM2SLC6A3HTTALDH1A1
SCHEMBL21057816 0.84 TP53 (0.44) TP53MDM2SLC6A3HTTALDH1A1
SCHEMBL21057929 0.83 LMNA (0.40) ALDH1A1SMN1; SMN2GAAMAPTLMNA
SCHEMBL21138517 0.83 LMNA (0.40) ALDH1A1SMN1; SMN2GAAMAPTLMNA
SCHEMBL21057931 0.83 LMNA (0.40) ALDH1A1SMN1; SMN2GAAMAPTLMNA
SCHEMBL21057926 0.83 LMNA (0.40) ALDH1A1SMN1; SMN2GAAMAPTLMNA
SCHEMBL24282688 0.83 CYP2C19 (0.42) TP53HTTALDH1A1KDM4ELMNA
SCHEMBL21057704 0.83 CYP2C19 (0.42) TP53HTTALDH1A1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12344605-B2 Substituted pyrrolidine amides II GRUENENTHAL GMBH (DE) 2025-07-01 US disclosed
US-20220127264-A1 SUBSTITUTED PYRROLIDINE AMIDES II GRUENENTHAL GMBH (DE) 2022-04-28 US disclosed
EP-3728233-B1 SUBSTITUTED PYRROLIDINE AMIDES II GRUENENTHAL GMBH (DE) 2022-04-20 EP disclosed
EP-3728219-B1 SUBSTITUTED PYRROLIDINE AMIDES I GRUENENTHAL GMBH (DE) 2022-04-13 EP disclosed
EP-3728233-A1 SUBSTITUTED PYRROLIDINE AMIDES II Grünenthal GmbH (DE) 2020-10-28 EP disclosed
EP-3728219-A1 SUBSTITUTED PYRROLIDINE AMIDES I Grünenthal GmbH (DE) 2020-10-28 EP disclosed
CN-111556867-A Substituted pyrrolidine amides I 格吕伦塔尔有限公司 2020-08-18 CN disclosed
CN-111491931-A Substituted pyrrolidine amides II 格吕伦塔尔有限公司 2020-08-04 CN disclosed
US-10626106-B2 Substituted pyrrolidine amides I GRUENENTHAL GMBH (DE) 2020-04-21 US disclosed
US-20190185470-A1 Substituted Pyrrolidine Amides II GRUENENTHAL GMBH (DE) 2019-06-20 US disclosed
US-20190185470-A1 Substituted Pyrrolidine Amides II GRUENENTHAL GMBH (DE) 2019-06-20 US 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 (5 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-20190185470-A1 Substituted Pyrrolidine Amides II NR3C1, NR3C2, MC2R TP53 3674/4885MDM2 3403/4885SLC6A3 3179/4885
US-10626106-B2 Substituted pyrrolidine amides I NR3C1, NR3C2, NR5A1 TP53 3688/4885MDM2 3497/4885SLC6A3 2983/4885
US-20220127264-A1 SUBSTITUTED PYRROLIDINE AMIDES II NR3C1, NR3C2, MC2R TP53 3674/4885MDM2 3403/4885SLC6A3 3179/4885
US-12344605-B2 Substituted pyrrolidine amides II NR3C1, NR3C2, MC2R TP53 3674/4885MDM2 3403/4885SLC6A3 3179/4885
US-20190185455-A1 Substituted Pyrrolidine Amides I NR3C1, NR3C2, NR5A1 TP53 3688/4885MDM2 3497/4885SLC6A3 2983/4885

“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.