SCHEMBL1885361

SCHEMBL1885361

CC(C)C(=O)NC1CCc2c(c3cc([N+](=O)[O-])ccc3n2Cc2cccc(F)c2)C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
IDO1 P14902 1/20 0.41
KRAS P01116 2/20 0.40
TBXA2R P21731 3/20 0.39
PTGDR Q13258 3/20 0.39
ABCB11 O95342 1/20 0.39
CYP2C9 P11712 1/20 0.39
DRD1 P21728 1/20 0.39
CCKAR P32238 1/20 0.39
PLA2G2A P14555 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
TP53 P04637 1/20 0.38
FABP3 P05413 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
SCHEMBL1871468 0.88 PTGDR2 (0.49) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL1877449 0.87 PTGDR2 (0.50) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL1877855 0.87 PTGDR2 (0.48) PTGDR2KRASTBXA2RPTGDRMTNR1A
SCHEMBL12637031 0.87 PTGDR2 (0.48) PTGDR2KRASTBXA2RPTGDRMTNR1A
SCHEMBL1888137 0.86 PTGDR2 (0.47) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL12637171 0.86 PTGDR2 (0.49) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL1888136 0.86 PTGDR2 (0.47) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL1883483 0.86 MTNR1A (0.39) PTGDR2MEN1KMT2AKRASPLA2G2A
SCHEMBL1879169 0.85 PTGDR2 (0.47) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL1880293 0.85 PTGDR2 (0.47) PTGDR2TBXA2RPTGDRABCB11CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7935722-B2 Tetrahydrocarbazole derivatives useful as androgen receptor modulators ELI LILLY AND COMPANY (US) 2011-05-03 US disclosed
US-7935722-B2 Tetrahydrocarbazole derivatives useful as androgen receptor modulators ELI LILLY AND COMPANY (US) 2011-05-03 US disclosed
US-7935722-B2 Tetrahydrocarbazole derivatives useful as androgen receptor modulators ELI LILLY AND COMPANY (US) 2011-05-03 US disclosed
EP-1902026-B1 TETRAHYDROCARBAZOLE DERIVATIVES USEFUL AS ANDROGEN RECEPTOR MODULATORS (SARM) LILLY CO ELI (US) 2010-02-17 EP disclosed
US-20100022550-A1 TETRAHYDROCARBAZOLE DERIVATIVES USEFUL AS ANDROGEN RECEPTOR MODULATORS CELLECTIS (FR) 2010-01-28 US disclosed
US-20100022550-A1 TETRAHYDROCARBAZOLE DERIVATIVES USEFUL AS ANDROGEN RECEPTOR MODULATORS CELLECTIS (FR) 2010-01-28 US disclosed
US-20100022550-A1 TETRAHYDROCARBAZOLE DERIVATIVES USEFUL AS ANDROGEN RECEPTOR MODULATORS CELLECTIS (FR) 2010-01-28 US disclosed
EP-1902026-A2 TETRAHYDROCARBAZOLE DERIVATIVES USEFUL AS ANDROGEN RECEPTOR MODULATORS (SARM) ELI LILLY AND COMPANY (US) 2008-03-26 EP disclosed
WO-2007002181-A2 TETRAHYDROCARBAZOLE DERIVATIVES USEFUL AS ANDROGEN RECEPTOR MODULATORS (SARM) ELI LILLY AND COMPANY (US) 2007-01-04 WO disclosed
WO-2007002181-A2 TETRAHYDROCARBAZOLE DERIVATIVES USEFUL AS ANDROGEN RECEPTOR MODULATORS (SARM) ELI LILLY AND COMPANY (US) 2007-01-04 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-20100022550-A1 TETRAHYDROCARBAZOLE DERIVATIVES USEFUL AS ANDROGEN RECEPTOR MODULATORS AR, SHBG, CYP17A1 PTGDR2 437/4885MEN1 3684/4885KMT2A 3439/4885

“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.