SCHEMBL5762968

SCHEMBL5762968

C=C(C)CC1(CO)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NR1H2 P55055 1/20 0.39
HPGD P15428 1/20 0.38
EPHX2 P34913 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
RECQL P46063 1/20 0.37
EPHX1 P07099 1/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
ATM Q13315 1/20 0.36
TACR1 P25103 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35

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
SCHEMBL1880398 0.88 USP2 (0.51) USP2SMN1; SMN2NR1H2HPGDEPHX2
SCHEMBL13661298 0.84 USP2 (0.45) USP2SMN1; SMN2NR1H2HPGDEPHX2
SCHEMBL12884306 0.83 USP2 (0.47) USP2SMN1; SMN2NR1H2HPGDEPHX2
SCHEMBL3158101 0.82 USP2 (0.46) USP2SMN1; SMN2NR1H2HPGDEPHX2
SCHEMBL2446921 0.82 USP2 (0.46) USP2SMN1; SMN2NR1H2HPGDEPHX2
SCHEMBL23070921 0.82 USP2 (0.46) USP2SMN1; SMN2NR1H2HPGDEPHX2
SCHEMBL16565814 0.82 USP2 (0.46) USP2SMN1; SMN2NR1H2HPGDEPHX2
SCHEMBL3164042 0.82 USP2 (0.46) USP2SMN1; SMN2NR1H2HPGDEPHX2
Bicarbonate SCHEMBL31475110 0.82 USP2 (0.46) USP2SMN1; SMN2NR1H2HPGDEPHX2
SCHEMBL18309958 0.81 USP2 (0.45) USP2SMN1; SMN2NR1H2HPGDEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-20030236250-A1 Cyclohexane derivatives and their use as therapeutic agents CNR2, CNR1, HTR1A USP2 4091/4885SMN1; SMN2 3052/4885NR1H2 284/4885

“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.