SCHEMBL8527422

SCHEMBL8527422

CC(C)(C)OC(=O)NC1CCc2[nH]c3ccc(C#N)cc3c2C1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.49
HTR1B P28222 2/20 0.49
HTR1D P28221 1/20 0.49
DRD2 P14416 2/20 0.47
DRD4 P21917 1/20 0.46
HTR1E P28566 1/20 0.46
HTR7 P34969 1/20 0.46
OPRM1 P35372 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
RORC P51449 1/20 0.42
KDM4D Q6B0I6 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL2029939 0.92 DRD2 (0.44) HTR1AHTR1BHTR1DDRD2RORC
SCHEMBL1178551 0.92 DRD2 (0.44) HTR1AHTR1BHTR1DDRD2RORC
SCHEMBL1178547 0.92 DRD2 (0.44) HTR1AHTR1BHTR1DDRD2RORC
SCHEMBL1874947 0.91 HTR1B (0.52) HTR1AHTR1BHTR1DDRD2DRD4
SCHEMBL1874943 0.91 HTR1B (0.52) HTR1AHTR1BHTR1DDRD2DRD4
SCHEMBL7032822 0.87 HTR1A (0.47) HTR1AHTR1BHTR1DDRD2DRD4
SCHEMBL14624292 0.85 HTR1B (0.53) HTR1AHTR1BHTR1DDRD2DRD4
SCHEMBL1899835 0.85 HTR1A (0.51) HTR1AHTR1BHTR1DDRD2DRD4
SCHEMBL1903598 0.85 HTR1A (0.51) HTR1AHTR1BHTR1DDRD2DRD4
SCHEMBL12637107 0.85 HTR1A (0.51) HTR1AHTR1BHTR1DDRD2DRD4

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-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-5827871-A VASODILATION DISORDERS, ESPECIALLY MIGRAINE HEADACHES; SIDE EFFECT REDUCTION SMITHKLINE BEECHAM PLC (GB) 1998-10-27 US disclosed
EP-0603432-B1 Tetrahydrocarbazole derivatives for the manufacture of a medicament for the treatment of a disease where a 5-HT1-like agonist is indicated SMITHKLINE BEECHAM PLC (GB) 1998-10-21 EP disclosed
EP-0591280-B1 USE OF TETRAHYDROCARBAZOLE DERIVATIVES AS 5HT1-RECEPTOR AGONISTS SMITHKLINE BEECHAM PLC (GB) 1998-09-09 EP disclosed
US-5637611-A Medicaments SMITHKLINE BEECHAM P.L.C. (GB) 1997-06-10 US disclosed
US-5464864-A Use of tetrahydrocarbazone derivatives as 5HT1 receptor agonists SMITHKLINE BEECHAM P.L.C. (GB) 1995-11-07 US disclosed
EP-0603432-A1 Tetrahydrocarbazole derivatives for the manufacture of a medicament for the treatment of a disease where a 5-HT1-like agonist is indicated SMITHKLINE BEECHAM PLC (GB) 1994-06-29 EP 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 HTR1A 1299/4885HTR1B 1072/4885HTR1D 1781/4885

“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.