SCHEMBL1876090

SCHEMBL1876090

COc1ccc2c(c1)c1c(n2Cc2ccccc2Cl)CCC(NC(=O)C(C)C)C1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.49
PTGDR2 Q9Y5Y4 3/20 0.46
AKR1C3 P42330 4/20 0.45
AKR1C2 P52895 3/20 0.45
AKR1C4 P17516 1/20 0.45
PTGS1 P23219 1/20 0.45
AKR1C1 Q04828 1/20 0.45
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
HTR6 P50406 2/20 0.44
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
AKR1B10 O60218 1/20 0.41
AKR1A1 P14550 1/20 0.41
AKR1B1 P15121 1/20 0.41
TP53 P04637 1/20 0.40

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
SCHEMBL1875342 0.91 PLA2G2A (0.51) PLA2G2APTGDR2MTNR1AMTNR1BHTR6
SCHEMBL13478779 0.90 MTNR1A (0.44) PLA2G2APTGDR2AKR1C3AKR1C2AKR1C4
SCHEMBL12637075 0.85 HDAC6 (0.46) PLA2G2APTGDR2AKR1C3AKR1C2AKR1C4
SCHEMBL1879305 0.85 PLA2G2A (0.49) PLA2G2APTGDR2MTNR1AMTNR1BHTR6
SCHEMBL1876638 0.85 MTNR1A (0.51) PTGDR2MTNR1AMTNR1B
SCHEMBL3145833 0.83 PTGDR2 (0.47) PLA2G2APTGDR2AKR1C3AKR1C2MTNR1A
SCHEMBL12637073 0.83 PTGDR2 (0.42) PLA2G2APTGDR2MTNR1AMTNR1BHTR6
SCHEMBL1879495 0.82 PTGDR2 (0.44) PTGDR2MTNR1AMTNR1BHTR6HDAC1
SCHEMBL13478781 0.81 MTNR1A (0.51) PTGDR2MTNR1AMTNR1BHTR6
SCHEMBL1880121 0.81 PTGDR2 (0.44) PTGDR2MTNR1AMTNR1BHTR6HDAC1

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 PLA2G2A 4593/4885PTGDR2 437/4885AKR1C3 346/4885

“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.