SCHEMBL1880816

SCHEMBL1880816

CC(C)C(=O)NC1CCc2c(c3cc(C#N)ccc3n2Cc2ccccc2[N+](=O)[O-])C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.41
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GSK3B P49841 1/20 0.37
XIAP P98170 1/20 0.37
RORC P51449 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
TBXA2R P21731 3/20 0.35
PTGDR Q13258 3/20 0.35
CNR2 P34972 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ACHE P22303 1/20 0.35
MEN1 O00255 1/20 0.35
ABCB11 O95342 1/20 0.34
CYP2C9 P11712 1/20 0.34
DRD1 P21728 1/20 0.34
CCKAR P32238 1/20 0.34

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
SCHEMBL1876121 0.89 PTGDR2 (0.41) PTGDR2ALDH1A1L3MBTL1MTNR1AMTNR1B
SCHEMBL14624166 0.89 PTGDR2 (0.41) PTGDR2KMT2AALDH1A1L3MBTL1MTNR1A
SCHEMBL1887084 0.88 PTGDR2 (0.43) PTGDR2XIAPRORCMTNR1AMTNR1B
SCHEMBL1875281 0.87 PTGDR2 (0.42) PTGDR2XIAPRORCMTNR1AMTNR1B
SCHEMBL1875284 0.87 PTGDR2 (0.42) PTGDR2XIAPRORCMTNR1AMTNR1B
SCHEMBL1879708 0.87 PTGDR2 (0.42) PTGDR2XIAPRORCMTNR1AMTNR1B
SCHEMBL1883483 0.86 MTNR1A (0.39) PTGDR2KMT2AALDH1A1L3MBTL1RORC
SCHEMBL1879437 0.85 MTNR1A (0.49) PTGDR2KMT2AXIAPRORCMTNR1A
SCHEMBL12636982 0.85 PTGDR2 (0.41) PTGDR2XIAPRORCMTNR1AMTNR1B
SCHEMBL1874237 0.85 PTGDR2 (0.43) PTGDR2XIAPRORCMTNR1AMTNR1B

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 12 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
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-1963332-A1 1 H-INDAZOLES, BENZOTHIAZOLES, 1,2-BENZOISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND CHROMONES AND PREPARATION AND USES THEREOF Memory Pharmaceuticals Corporation (US) 2008-09-03 EP disclosed
EP-1902026-A2 TETRAHYDROCARBAZOLE DERIVATIVES USEFUL AS ANDROGEN RECEPTOR MODULATORS (SARM) ELI LILLY AND COMPANY (US) 2008-03-26 EP disclosed
WO-2007056582-A1 1 H-INDAZOLES, BENZOTHIAZOLES, 1,2-BENZOISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND CHROMONES AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2007-05-18 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 437/4885KMT2A 3439/4885ALDH1A1 1070/4885

“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.