SCHEMBL2266536

SCHEMBL2266536

FC(F)c1nnc2ccc(N3CCC(c4c[nH]c5ccccc45)CC3)nn12

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
CYP2D6 P10635 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
KDM4E B2RXH2 2/20 0.43
BRD4 O60885 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
CREBBP Q92793 1/20 0.43
ATM Q13315 1/20 0.43
ADRA1D P25100 4/20 0.42
HTR2C P28335 2/20 0.42
ADRB2 P07550 1/20 0.42

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
SCHEMBL2265201 0.84 MAPT (0.55) KMT2ADRD2DRD4DRD3KDM4E
SCHEMBL2271276 0.72 DPP4 (0.42) KMT2AKDM4EALDH1A1
SCHEMBL2265149 0.72 HTT (0.51) BRD4ALDH1A1
SCHEMBL2269653 0.72 ALOX15 (0.46) KDM4EALDH1A1
SCHEMBL2265175 0.71 DPP4 (0.62) KMT2AKDM4EALDH1A1
SCHEMBL2268879 0.70 HTT (0.51) BRD4ALDH1A1
SCHEMBL3612541 0.70 DGAT1 (0.52) KMT2ADRD2DRD4DRD3KDM4E
SCHEMBL2266153 0.69 DGAT1 (0.56) DRD2BRD4ALDH1A1
SCHEMBL2265031 0.69 AR (0.53)
SCHEMBL2263836 0.69 DPP4 (0.47) BRD4ALDH1A1

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 9 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
US-8003649-B2 Bicyclic derivatives for use in the treatment of androgen receptor associated conditions-155 ASTRAZENECA AB (SE) 2011-08-23 US disclosed
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
US-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 ASTRAZENECA AB (SE) 2010-01-21 US 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
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 KMT2A 3283/4885CYP2D6 248/4885DRD2 4077/4885

“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.