SCHEMBL5766992

SCHEMBL5766992

C=CC[C@]1(C(=O)OCC)CCN(C(=O)OC(C)(C)C)C[C@@H]1O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
NR1H2 P55055 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.33
HPGD P15428 1/20 0.33
ADORA1 P30542 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
RECQL P46063 1/20 0.32
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
EPHX2 P34913 1/20 0.31

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
SCHEMBL5767036 1.00 MEN1 (0.34) MEN1ALDH1A1KMT2ANR1H2MAPT
SCHEMBL17608823 0.90 DDB1 (0.35) MEN1ALDH1A1KMT2ANR1H2MAPT
SCHEMBL19341576 0.82 MAPK1 (0.41) MEN1ALDH1A1KMT2ANR1H2MAPT
SCHEMBL19320639 0.80 OPRM1 (0.39) MEN1KMT2A
SCHEMBL5764582 0.79 JAK2 (0.41) MEN1ALDH1A1KMT2ADDB1CRBN
SCHEMBL5764872 0.79 JAK2 (0.41) MEN1ALDH1A1KMT2ADDB1CRBN
SCHEMBL5768278 0.79 JAK2 (0.41) MEN1ALDH1A1KMT2ADDB1CRBN
SCHEMBL1281827 0.79 USP2 (0.39) MEN1ALDH1A1KMT2ATSHRADORA1
SCHEMBL5532696 0.73 NR1H2 (0.40) MEN1ALDH1A1KMT2ANR1H2MAPT
SCHEMBL16838347 0.73 SMN1; SMN2 (0.41) ALDH1A1TSHRHPGDADORA1RECQL

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 MEN1 3255/4885ALDH1A1 1452/4885KMT2A 2954/4885

“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.