SCHEMBL2265322

SCHEMBL2265322

Cn1nccc1CCOc1ccc(C2CCNCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.53
AR P10275 1/20 0.53
HRH3 Q9Y5N1 8/20 0.40
CYP3A4 P08684 4/20 0.39
CYP2C9 P11712 4/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP2C19 P33261 1/20 0.39
TLR9 Q9NR96 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
DRD1 P21728 1/20 0.38
DRD5 P21918 1/20 0.38
HTR2A P28223 1/20 0.38
DRD3 P35462 1/20 0.38
NMT1 P30419 1/20 0.38
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37

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
SCHEMBL17298797 0.76 CYP1A2 (0.48) KCNH2ARHRH3CYP3A4CYP2C9
SCHEMBL11832143 0.74 MAOA (0.55) KCNH2HRH3CYP2C9P2RY14
SCHEMBL11519234 0.74 MAOA (0.55) KCNH2HRH3CYP1A2CYP2D6CYP2C19
SCHEMBL14922735 0.73 HTR2C (0.46) KCNH2HRH3HTR2APRMT5WDR77
SCHEMBL22117595 0.72 SLC18A3 (0.48) KCNH2HRH3CYP3A4CYP2C9HTR1A
SCHEMBL8234772 0.72 HTR2C (0.45) KCNH2HRH3CYP3A4CYP2C9SLC2A1
SCHEMBL8484170 0.72 HTR1A (0.54) KCNH2HRH3HTR1ADRD2DRD1
Hydrochloric Acid SCHEMBL22117660 0.71 HTR2C (0.47) KCNH2HRH3CYP3A4CYP2C9HTR1A
SCHEMBL26041153 0.71 SLC18A3 (0.47) KCNH2HRH3CYP3A4CYP2C9SLC2A1
SCHEMBL14938112 0.71 NOS1 (0.50) KCNH2ARCYP3A4CYP2C9CYP1A2

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 KCNH2 4406/4885AR 1/4885HRH3 886/4885

“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.