SCHEMBL5375765

SCHEMBL5375765

CC(C)(C)OC(=O)N1CCC2(CCOC2=O)CC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
RECQL P46063 1/20 0.43
USP30 Q70CQ3 1/20 0.41
TSHR P16473 2/20 0.40
ALOX15 P16050 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
GPR119 Q8TDV5 1/20 0.39
HPGD P15428 1/20 0.38
EPHX2 P34913 1/20 0.38
ATM Q13315 2/20 0.38
HTT P42858 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
SCHEMBL7309370 0.87 USP2 (0.53) USP2SMN1; SMN2RECQLUSP30TSHR
SCHEMBL5765311 0.83 USP2 (0.47) USP2SMN1; SMN2RECQLUSP30KDM4E
SCHEMBL24089120 0.80 USP2 (0.50) USP2SMN1; SMN2RECQLUSP30TSHR
SCHEMBL29960510 0.78 HDAC1 (0.47) USP2SMN1; SMN2USP30TSHRALOX15
SCHEMBL20533859 0.78 USP2 (0.45) USP2SMN1; SMN2USP30TSHRALOX15
SCHEMBL5895323 0.77 USP2 (0.47) USP2SMN1; SMN2USP30TSHRALOX15
SCHEMBL9933565 0.76 USP2 (0.48) USP2SMN1; SMN2RECQLUSP30KDM4E
SCHEMBL5767082 0.76 USP2 (0.48) USP2SMN1; SMN2RECQLUSP30KDM4E
SCHEMBL5766934 0.76 USP2 (0.44) USP2SMN1; SMN2RECQLUSP30KDM4E
SCHEMBL5766364 0.76 USP2 (0.44) USP2SMN1; SMN2RECQLUSP30KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118302423-A Amine compound and use thereof 石药集团中奇制药技术(石家庄)有限公司 2024-07-05 CN disclosed
WO-2023192112-A1 PROCESS FOR PREPARING SHP2 INHIBITORS GENZYME CORPORATION (US) 2023-10-05 WO disclosed
WO-2022007502-A1 MANUFACTURE OF COMPOUNDS AND COMPOSITIONS FOR INHIBITING SHP2 NOVARTIS AG (CH) 2022-01-13 WO disclosed
WO-2022006780-A1 MANUFACTURE OF COMPOUNDS AND COMPOSITIONS FOR INHIBITING ACTIVITY OF SHP2 NOVARTIS AG (CH) 2022-01-13 WO disclosed
US-7253205-B2 Gem-disubstituted cyclohexane derivatives and their use as therapeutic agents MERCK SHARP & DOHME LIMITED (GB) 2007-08-07 US disclosed
EP-1286967-B1 CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME (GB) 2006-09-27 EP disclosed
US-7105507-B2 Cyclohexane derivatives and their use as therapeutic agents MERCK SHARP & DOHME LIMITED (GB) 2006-09-12 US disclosed
US-6953792-B2 Cyclohexyl derivatives and their use as therapeutic agents MERCK SHARP & DOHME LIMITED (GB) 2005-10-11 US disclosed
US-20040171642-A1 Gem-disubstituted cyclohexane derivatives and their use as therapeutic agents MERCK SHARP & DOHME LTD. (GB) 2004-09-02 US disclosed
US-20030236250-A1 Cyclohexane derivatives and their use as therapeutic agents MERCK SHARP & DOHME LTD. (GB) 2003-12-25 US disclosed
US-20030225059-A1 Cyclohexyl derivatives and their use as therapeutic agents MERCK SHARP & DOHME LTD. (GB) 2003-12-04 US disclosed
EP-1286967-A1 CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LTD. (GB) 2003-03-05 EP disclosed
EP-1286978-A1 CYCLOHEXYL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LTD. (GB) 2003-03-05 EP disclosed
WO-2002102372-A1 GEM-DISUBSTITUTED CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 2002-12-27 WO disclosed
WO-2001087866-A1 CYCLOHEXYL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 2001-11-22 WO disclosed
WO-2001087838-A1 CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 2001-11-22 WO 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-20040171642-A1 Gem-disubstituted cyclohexane derivatives and their use as therapeutic agents CNR2, CNR1, PTGS1 USP2 4006/4885SMN1; SMN2 1276/4885RECQL 192/4885
US-20030236250-A1 Cyclohexane derivatives and their use as therapeutic agents CNR2, CNR1, HTR1A USP2 4091/4885SMN1; SMN2 3052/4885RECQL 463/4885
US-20030225059-A1 Cyclohexyl derivatives and their use as therapeutic agents CNR2, CNR1, HRH2 USP2 4243/4885SMN1; SMN2 3204/4885RECQL 193/4885

“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.