SCHEMBL21057657

SCHEMBL21057657

COC(=O)C1CC(=O)NC1c1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
PKM P14618 1/20 0.43
LMNA P02545 2/20 0.43
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
RECQL P46063 1/20 0.42
OPRK1 P41145 1/20 0.41
P2RX7 Q99572 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.39

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
SCHEMBL21057706 0.87 RECQL (0.36) ALDH1A1LMNACYP2C19CYP3A4MAPT
SCHEMBL21057816 0.85 TP53 (0.44) ALDH1A1CYP2C19CYP3A4MAPTCYP2C9
SCHEMBL21057764 0.85 ALDH1A1 (0.45) ALDH1A1
SCHEMBL24378247 0.85 ALDH1A1 (0.45) ALDH1A1
SCHEMBL21057760 0.84 RECQL (0.46) ALDH1A1RECQL
SCHEMBL21057704 0.84 CYP2C19 (0.42) ALDH1A1PKMLMNACYP2C19TDP1
SCHEMBL21057707 0.84 CYP2C19 (0.42) ALDH1A1PKMLMNACYP2C19TDP1
SCHEMBL24282688 0.84 CYP2C19 (0.42) ALDH1A1PKMLMNACYP2C19TDP1
SCHEMBL21057709 0.84 CYP2C19 (0.42) ALDH1A1PKMLMNACYP2C19TDP1
SCHEMBL21057955 0.84 CYP2D6 (0.50) ALDH1A1LMNACYP2C19CYP3A4TDP1

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 15 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
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-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-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
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 ALDH1A1 1258/4885PKM 1425/4885LMNA 4704/4885
US-10626106-B2 Substituted pyrrolidine amides I NR3C1, NR3C2, NR5A1 ALDH1A1 814/4885PKM 1315/4885LMNA 4685/4885
US-20220127264-A1 SUBSTITUTED PYRROLIDINE AMIDES II NR3C1, NR3C2, MC2R ALDH1A1 1258/4885PKM 1425/4885LMNA 4704/4885
US-12344605-B2 Substituted pyrrolidine amides II NR3C1, NR3C2, MC2R ALDH1A1 1258/4885PKM 1425/4885LMNA 4704/4885
US-20190185455-A1 Substituted Pyrrolidine Amides I NR3C1, NR3C2, NR5A1 ALDH1A1 814/4885PKM 1315/4885LMNA 4685/4885

“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.