SCHEMBL2265944

SCHEMBL2265944

O=C(OCc1ccccc1)N1CCC(O)(c2cncc(C(F)(F)F)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.47
NOS2 P35228 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CHRM4 P08173 2/20 0.46
RORC P51449 2/20 0.45
OPRK1 P41145 2/20 0.45
OPRD1 P41143 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ENPP2 Q13822 3/20 0.44
ATXN2 Q99700 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
OPRM1 P35372 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
SCHEMBL3660227 0.94 TACR1 (0.46) TACR1NOS2HDAC3HDAC1HDAC2
SCHEMBL7284050 0.86 OPRM1 (0.58) TACR1NOS2MEN1KMT2ACHRM4
SCHEMBL8693356 0.85 RORC (0.54) NOS2MEN1KMT2ACHRM4RORC
SCHEMBL2265088 0.81 MEN1 (0.69) NOS2HDAC3HDAC1HDAC2HDAC6
SCHEMBL3330453 0.80 IDO1 (0.43) MEN1KMT2ACHRM4OPRK1OPRD1
SCHEMBL7556949 0.80 CHRM4 (0.61) NOS2HDAC3HDAC1HDAC2HDAC6
SCHEMBL3325851 0.78 TACR1 (0.50) TACR1
SCHEMBL8696969 0.77 RORC (0.58) NOS2HDAC3HDAC1HDAC2HDAC6
SCHEMBL6161298 0.76 MEN1 (0.50) NOS2HDAC3HDAC1HDAC2HDAC6
SCHEMBL2285406 0.75 MEN1 (0.57) HDAC3HDAC1HDAC2HDAC6MEN1

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 TACR1 207/4885NOS2 4095/4885HDAC3 1033/4885

“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.