SCHEMBL3313724

SCHEMBL3313724

CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccccc1Br

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.57
UCHL1 P09936 2/20 0.55
TSHR P16473 3/20 0.47
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 3/20 0.47
MEN1 O00255 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PPID Q08752 2/20 0.47
PPIB P23284 1/20 0.47
PPIG Q13427 1/20 0.47
RIPK1 Q13546 1/20 0.46
NPC1 O15118 1/20 0.45
SCD5 Q86SK9 1/20 0.44
USP30 Q70CQ3 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43

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
SCHEMBL3312132 1.00 NR1H2 (0.57) NR1H2UCHL1TSHRALDH1A1KMT2A
SCHEMBL29855663 1.00 NR1H2 (0.57) NR1H2UCHL1TSHRALDH1A1KMT2A
SCHEMBL29747103 1.00 NR1H2 (0.57) NR1H2UCHL1TSHRALDH1A1KMT2A
SCHEMBL30206489 1.00 NR1H2 (0.57) NR1H2UCHL1TSHRALDH1A1KMT2A
SCHEMBL2325712 1.00 NR1H2 (0.57) NR1H2UCHL1TSHRALDH1A1KMT2A
SCHEMBL25236194 0.96 NR1H2 (0.56) NR1H2UCHL1TSHRALDH1A1KMT2A
SCHEMBL20170496 0.86 HSP90AA1 (0.56) UCHL1TSHRALDH1A1KMT2ALMNA
SCHEMBL22165572 0.85 RIPK1 (0.47) UCHL1TSHRALDH1A1KMT2ALMNA
SCHEMBL23579324 0.85 RIPK1 (0.47) UCHL1TSHRALDH1A1KMT2ALMNA
SCHEMBL29748129 0.85 RIPK1 (0.47) UCHL1TSHRALDH1A1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117683029-A Bcl-2 inhibitors 百济神州有限公司 2024-03-12 CN disclosed
CN-117430601-A Bcl-2 inhibitors 百济神州有限公司 2024-01-23 CN disclosed
CN-112437772-B Bcl-2 inhibitors 百济神州有限公司 2023-11-21 CN disclosed
CN-112437772-A Bcl-2 inhibitors 百济神州有限公司 2021-03-02 CN disclosed
EP-2356105-B1 ( PYRROLIDIN-2 -YL) PHENYL DERIVATIVES FOR USE IN THE TREATMENT OF PAIN MSD OSS BV (NL) 2013-04-10 EP disclosed
US-8188123-B2 (Pyrrolidin-2-yl)phenyl derivatives MERCK SHARP & DOHME B.V. (NL) 2012-05-29 US disclosed
US-20100113493-A1 (PYRROLIDIN-2-YL)PHENYL DERIVATIVES N.V. ORGANON 2010-05-06 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 (1 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-20100113493-A1 (PYRROLIDIN-2-YL)PHENYL DERIVATIVES CNR1, CNR2, TRPV1 NR1H2 1279/4885UCHL1 4627/4885TSHR 1070/4885

“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.