SCHEMBL21057709

SCHEMBL21057709

O=C1CC(C(=O)O)C(c2cccc(F)c2)N1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.42
GRM5 P41594 1/20 0.41
TDP1 Q9NUW8 3/20 0.41
ALDH1A1 P00352 5/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
P2RX7 Q99572 3/20 0.39
LMNA P02545 2/20 0.38
RIPK1 Q13546 1/20 0.38
RECQL P46063 1/20 0.37
TP53 P04637 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
SCHEMBL24282688 1.00 CYP2C19 (0.42) CYP2C19GRM5TDP1ALDH1A1POLB
SCHEMBL21057707 1.00 CYP2C19 (0.42) CYP2C19GRM5TDP1ALDH1A1POLB
SCHEMBL21057704 1.00 CYP2C19 (0.42) CYP2C19GRM5TDP1ALDH1A1POLB
SCHEMBL21057971 0.85 ITGB3 (0.33) ALDH1A1POLBLMNA
SCHEMBL21057975 0.85 ITGB3 (0.33) ALDH1A1POLBLMNA
SCHEMBL21057974 0.85 ITGB3 (0.33) ALDH1A1POLBLMNA
SCHEMBL21057926 0.83 LMNA (0.40) ALDH1A1LMNA
SCHEMBL21057931 0.83 LMNA (0.40) ALDH1A1LMNA
SCHEMBL21138517 0.83 LMNA (0.40) ALDH1A1LMNA
SCHEMBL21057929 0.83 LMNA (0.40) ALDH1A1LMNA

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 11 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-3728219-A1 SUBSTITUTED PYRROLIDINE AMIDES I Grünenthal GmbH (DE) 2020-10-28 EP disclosed
EP-3728233-A1 SUBSTITUTED PYRROLIDINE AMIDES II 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-20190185455-A1 Substituted Pyrrolidine Amides I GRUENENTHAL GMBH (DE) 2019-06-20 US disclosed
US-20190185470-A1 Substituted Pyrrolidine Amides II 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 CYP2C19 331/4885GRM5 22/4885TDP1 3722/4885
US-10626106-B2 Substituted pyrrolidine amides I NR3C1, NR3C2, NR5A1 CYP2C19 319/4885GRM5 23/4885TDP1 3265/4885
US-20220127264-A1 SUBSTITUTED PYRROLIDINE AMIDES II NR3C1, NR3C2, MC2R CYP2C19 331/4885GRM5 22/4885TDP1 3722/4885
US-12344605-B2 Substituted pyrrolidine amides II NR3C1, NR3C2, MC2R CYP2C19 331/4885GRM5 22/4885TDP1 3722/4885
US-20190185455-A1 Substituted Pyrrolidine Amides I NR3C1, NR3C2, NR5A1 CYP2C19 319/4885GRM5 23/4885TDP1 3265/4885

“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.