SCHEMBL2264503

SCHEMBL2264503

COc1ccc(C2(O)CCN(C(=O)OCc3ccccc3)CC2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
OPRK1 P41145 3/20 0.48
OPRD1 P41143 2/20 0.48
CCR1 P32246 1/20 0.48
NOS2 P35228 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CHRM4 P08173 1/20 0.45
CYP2C19 P33261 1/20 0.44
SCN5A Q14524 1/20 0.43
SCN9A Q15858 1/20 0.43
GRIN2B Q13224 3/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL3719216 0.92 HDAC3 (0.43) HDAC3HDAC1HDAC2HDAC6OPRK1
SCHEMBL8315425 0.83 OPRD1 (0.54) OPRK1OPRD1CCR1NOS2MEN1
SCHEMBL3662100 0.81 LMNA (0.43) OPRK1OPRD1MEN1KMT2ASMN1; SMN2
SCHEMBL7556949 0.81 CHRM4 (0.61) HDAC3HDAC1HDAC2HDAC6OPRK1
SCHEMBL6043019 0.81 GPR119 (0.52) OPRK1OPRD1CCR1MEN1KMT2A
SCHEMBL2265088 0.80 MEN1 (0.69) HDAC3HDAC1HDAC2HDAC6OPRK1
SCHEMBL751049 0.80 OPRD1 (0.53) HDAC3HDAC1HDAC2HDAC6OPRK1
SCHEMBL3024794 0.79 GPR119 (0.53) OPRK1OPRD1
SCHEMBL14922733 0.79 MEN1 (0.52) HDAC3HDAC1HDAC2HDAC6OPRK1
SCHEMBL19458995 0.78 ACE2 (0.56) HDAC3HDAC1HDAC2HDAC6OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003649-B2 Bicyclic derivatives for use in the treatment of androgen receptor associated conditions-155 ASTRAZENECA AB (SE) 2011-08-23 US disclosed
EP-2235010-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS AstraZeneca AB (SE) 2010-10-06 EP disclosed
US-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 ASTRAZENECA AB (SE) 2010-01-21 US disclosed
WO-2009081197-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS ASTRAZENECA AB (SE) 2009-07-02 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-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 AR, NR5A1, CYP17A1 HDAC3 1033/4885HDAC1 905/4885HDAC2 1337/4885

“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.