SCHEMBL43653

SCHEMBL43653

CC(C)(C)OC(=O)N1C[C@H]2CCC(=O)[C@H]2C1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.50
LIPE Q05469 2/20 0.49
DDB1 Q16531 2/20 0.45
CRBN Q96SW2 2/20 0.45
USP30 Q70CQ3 1/20 0.42
RORC P51449 1/20 0.41
GPR119 Q8TDV5 4/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
PDE4B Q07343 1/20 0.40
HPGD P15428 1/20 0.39
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL5938227 1.00 NR1H2 (0.50) NR1H2LIPEDDB1CRBNUSP30
SCHEMBL22784207 1.00 NR1H2 (0.50) NR1H2LIPEDDB1CRBNUSP30
SCHEMBL43652 1.00 NR1H2 (0.50) NR1H2LIPEDDB1CRBNUSP30
SCHEMBL29560774 1.00 NR1H2 (0.50) NR1H2LIPEDDB1CRBNUSP30
SCHEMBL29965040 0.93 LIPE (0.45) NR1H2LIPEDDB1CRBNUSP30
SCHEMBL14239659 0.91 NR1H2 (0.48) NR1H2LIPEDDB1CRBNUSP30
SCHEMBL1692080 0.91 NR1H2 (0.48) NR1H2LIPEDDB1CRBNUSP30
SCHEMBL5940329 0.86 NR1H2 (0.54) NR1H2LIPEDDB1CRBNUSP30
SCHEMBL5938643 0.86 NR1H2 (0.54) NR1H2LIPEDDB1CRBNUSP30
SCHEMBL14239632 0.84 NR1H2 (0.52) NR1H2LIPEDDB1CRBNUSP30

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-20230331725-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS, INC. 2023-10-19 US disclosed
US-20230331725-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS, INC. 2023-10-19 US disclosed
US-11780839-B2 Compounds for treating Huntington's disease PTC THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
US-11780839-B2 Compounds for treating Huntington's disease PTC THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
US-20210024525-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS, INC. 2021-01-28 US disclosed
WO-2019191229-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS, INC. (US) 2019-10-03 WO disclosed
US-8796470-B2 Substituted octahydrocyclopenta[c]pyrroles as calcium channel modulators ABBVIE INC. (US) 2014-08-05 US disclosed
WO-2012169934-A1 NOVEL KINASE INHIBITORS ОБЩЕСТВО С ОГРАНИЧЕННОЙ ОТВЕТСТВЕННОСТЬЮ "АСИНЭКС МЕДХИМ" (RU) 2012-12-13 WO disclosed
US-20120095040-A1 CYCLOPENTA[C]PYRROLE-2-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-04-19 US disclosed
WO-2011149993-A2 SUBSTITUTED OCTAHYDROCYCLOPENTA[c]PYRROLES AS CALCIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-12-01 WO disclosed
US-20110294854-A1 SUBSTITUTED OCTAHYDROCYCLOPENTA[c]PYRROLES AS CALCIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-12-01 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-20210024525-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE HTT, HYPK, HDAC6 NR1H2 417/4885LIPE 1956/4885DDB1 3049/4885
US-20120095040-A1 CYCLOPENTA[C]PYRROLE-2-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF EPOR, ACAD9, CBR1 NR1H2 997/4885LIPE 4815/4885DDB1 4438/4885
US-20230331725-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE HTT, HYPK, HDAC6 NR1H2 417/4885LIPE 1956/4885DDB1 3049/4885
US-11780839-B2 Compounds for treating Huntington's disease HTT, HYPK, HDAC6 NR1H2 417/4885LIPE 1956/4885DDB1 3049/4885
US-20110294854-A1 SUBSTITUTED OCTAHYDROCYCLOPENTA[c]PYRROLES AS CALCIUM CHANNEL MODULATORS ORAI1, CACNA1E, RYR1 NR1H2 1912/4885LIPE 3955/4885DDB1 4329/4885

“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.