SCHEMBL5764582

SCHEMBL5764582

C=CC[C@@]1(C(=O)OCC)CCN(C(=O)OC(C)(C)C)C[C@@H]1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TACR1 P25103 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
LMNA P02545 2/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
STS P08842 1/20 0.36
YAP1 P46937 1/20 0.36
ELANE P08246 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.36
THRB P10828 1/20 0.36
PARP1 P09874 1/20 0.36

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
SCHEMBL5764872 1.00 JAK2 (0.41) JAK2JAK1TACR1OPRD1OPRK1
SCHEMBL5768278 1.00 JAK2 (0.41) JAK2JAK1TACR1OPRD1OPRK1
SCHEMBL17608960 0.80 KDM1A (0.43) OPRD1OPRK1MEN1KMT2ANPC1
SCHEMBL5767036 0.79 MEN1 (0.34) JAK2JAK1MEN1KMT2ADDB1
SCHEMBL5766992 0.79 MEN1 (0.34) JAK2JAK1MEN1KMT2ADDB1
SCHEMBL5764584 0.78 FAAH (0.35)
SCHEMBL7057548 0.77 TEAD3 (0.35) KMT2ANPC1RAB9ACYP2C19
SCHEMBL21577677 0.77 TACR1 (0.46) JAK2JAK1TACR1OPRD1OPRK1
SCHEMBL23882217 0.76 JAK2 (0.45) JAK2JAK1TACR1OPRD1OPRK1
SCHEMBL2705541 0.76 JAK2 (0.45) JAK2JAK1TACR1OPRD1OPRK1

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 3 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

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 JAK2 1727/4885JAK1 3151/4885TACR1 231/4885

“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.