SCHEMBL2264461

SCHEMBL2264461

CC(C)(C)OC(=O)N1CC=C(c2ccc(NN)nn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 11/20 0.56
GRM5 P41594 11/20 0.56
PDK4 Q16654 1/20 0.48
NAMPT P43490 1/20 0.48
JAK1 P23458 1/20 0.46
WNT3A P56704 1/20 0.45
CDK7 P50613 1/20 0.43
CDK13 Q14004 1/20 0.43
CDK12 Q9NYV4 1/20 0.43
EED O75530 1/20 0.43
RBBP4 Q09028 1/20 0.43
SUZ12 Q15022 1/20 0.43
EZH2 Q15910 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
SCHEMBL24891853 0.90 GRM1 (0.57) GRM1GRM5PDK4NAMPTJAK1
SCHEMBL31639564 0.85 GRM1 (0.59) GRM1GRM5PDK4NAMPTJAK1
SCHEMBL15176153 0.85 GRM1 (0.59) GRM1GRM5PDK4NAMPTWNT3A
SCHEMBL30439311 0.85 GRM1 (0.59) GRM1GRM5PDK4NAMPTWNT3A
SCHEMBL2268829 0.83 GRM1 (0.59) GRM1GRM5PDK4NAMPTJAK1
SCHEMBL24891810 0.83 GRM1 (0.52) GRM1GRM5PDK4NAMPTJAK1
SCHEMBL30182402 0.83 GRM1 (0.52) GRM1GRM5PDK4NAMPTJAK1
SCHEMBL31590064 0.82 GRM1 (0.56) GRM1GRM5PDK4NAMPTJAK1
SCHEMBL27802397 0.82 ALDH1A1 (0.39) GRM1GRM5NAMPT
SCHEMBL24891862 0.82 GRM1 (0.49) GRM1GRM5PDK4NAMPTJAK1

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 GRM1 693/4885GRM5 305/4885PDK4 2156/4885

“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.