SCHEMBL21058110

SCHEMBL21058110

COC(=O)C1CC(=O)NC1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSD P07339 10/20 0.43
CYP3A4 P08684 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
TSHR P16473 2/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL21058080 0.84 CTSD (0.45) CTSD
SCHEMBL21058081 0.84 CTSD (0.45) CTSD
SCHEMBL21103726 0.84 CTSD (0.45) CTSD
SCHEMBL21058082 0.84 CTSD (0.45) CTSD
SCHEMBL10618713 0.77 MC4R (0.43) CTSDCYP3A4TSHRHSD17B10ALDH1A1
SCHEMBL21057643 0.75 CTSD (0.44) CTSD
SCHEMBL21057644 0.75 CTSD (0.44) CTSD
SCHEMBL21057955 0.75 CYP2D6 (0.50) CYP3A4CYP1A2CYP2D6TSHRMAPK1
SCHEMBL6976103 0.74 CTSD (0.49) CTSD
SCHEMBL6976101 0.74 CTSD (0.49) CTSD

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-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-3728233-A1 SUBSTITUTED PYRROLIDINE AMIDES II Grünenthal GmbH (DE) 2020-10-28 EP disclosed
CN-111491931-A Substituted pyrrolidine amides II 格吕伦塔尔有限公司 2020-08-04 CN 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

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-20190185470-A1 Substituted Pyrrolidine Amides II NR3C1, NR3C2, MC2R CTSD 4156/4885CYP3A4 697/4885CYP1A2 188/4885
US-20220127264-A1 SUBSTITUTED PYRROLIDINE AMIDES II NR3C1, NR3C2, MC2R CTSD 4156/4885CYP3A4 697/4885CYP1A2 188/4885
US-12344605-B2 Substituted pyrrolidine amides II NR3C1, NR3C2, MC2R CTSD 4156/4885CYP3A4 697/4885CYP1A2 188/4885

“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.