SCHEMBL4690442

SCHEMBL4690442

CC(C)(O)CCC1(O)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HPGD P15428 1/20 0.39
GPR4 P46093 1/20 0.39
EPHX2 P34913 1/20 0.39
GPR119 Q8TDV5 3/20 0.38
RECQL P46063 1/20 0.38
EPHX1 P07099 1/20 0.38
PKLR P30613 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
NR1H2 P55055 1/20 0.37

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
SCHEMBL16049599 0.87 USP2 (0.44) USP2SMN1; SMN2HPGDGPR4EPHX2
SCHEMBL26665513 0.84 USP2 (0.47) USP2SMN1; SMN2HPGDGPR4EPHX2
SCHEMBL237976 0.84 USP2 (0.47) USP2SMN1; SMN2HPGDGPR4EPHX2
SCHEMBL2140971 0.83 USP2 (0.46) USP2SMN1; SMN2HPGDGPR4EPHX2
SCHEMBL1575709 0.82 CYP4F2 (0.47) USP2SMN1; SMN2HPGDGPR4EPHX2
SCHEMBL597478 0.82 GPR4 (0.46) USP2SMN1; SMN2HPGDGPR4EPHX2
SCHEMBL16130103 0.82 USP2 (0.45) USP2SMN1; SMN2HPGDGPR4EPHX2
SCHEMBL15076623 0.82 USP2 (0.45) USP2SMN1; SMN2HPGDGPR4EPHX2
SCHEMBL2349423 0.81 USP2 (0.50) USP2SMN1; SMN2HPGDEPHX2GPR119
SCHEMBL2945193 0.81 USP2 (0.50) USP2SMN1; SMN2HPGDGPR4EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603901-B1 TETRAHYDROPYRAN COMPOUNDS AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME (GB) 2008-10-15 EP disclosed
US-7393858-B2 Tetrahydropyran compounds as tachykinin antagonists MERCK SHARP & DOHME LTD. (GB) 2008-07-01 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-20060172999-A1 Tetrahydropyran compounds as tachykinin antagonists MERCK SHARP & DOHME LTD. (GB) 2006-08-03 US disclosed
EP-1603901-A1 TETRAHYDROPYRAN COMPOUNDS AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 2005-12-14 EP disclosed
WO-2004078750-A1 TETRAHYDROPYRAN COMPOUNDS AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2004-09-16 WO disclosed
US-20030236250-A1 Cyclohexane derivatives and their use as therapeutic agents MERCK SHARP & DOHME LTD. (GB) 2003-12-25 US disclosed
EP-1286967-A1 CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LTD. (GB) 2003-03-05 EP 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 (2 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-20030236250-A1 Cyclohexane derivatives and their use as therapeutic agents CNR2, CNR1, HTR1A USP2 4091/4885SMN1; SMN2 3052/4885HPGD 198/4885
US-20060172999-A1 Tetrahydropyran compounds as tachykinin antagonists NPSR1, NPY1R, OPRL1 USP2 4186/4885SMN1; SMN2 4072/4885HPGD 1155/4885

“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.