SCHEMBL1178508

SCHEMBL1178508

COc1ccccc1Cn1c2c(c3cc(C#N)ccc31)CC(NC(=O)OC(C)C)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ GPR6 P46095 1/20 0.37
▸ PLA2G4A P47712 1/20 0.36
▸ LTB4R Q15722 1/20 0.36
▸ CNR1 P21554 4/20 0.36
▸ XIAP P98170 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ FABP4 P15090 1/20 0.35
▸ EDNRB P24530 2/20 0.35
▸ MTNR1A P48039 1/20 0.35
▸ MTNR1B P49286 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ USP2 O75604 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ TSHR P16473 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
SCHEMBL1178506 1.00 ADORA2A (0.39) ADORA2AADORA1GPR6PLA2G4ALTB4R
SCHEMBL1178476 0.90 DRD2 (0.35) XIAPPTGDR2
SCHEMBL1178481 0.90 DRD2 (0.35) XIAPPTGDR2
SCHEMBL1178295 0.88 GPR6 (0.36) GPR6PLA2G4ALTB4RXIAP
SCHEMBL1178260 0.88 GPR6 (0.35) ADORA2AADORA1GPR6CNR1XIAP
SCHEMBL1178262 0.88 GPR6 (0.35) ADORA2AADORA1GPR6CNR1XIAP
SCHEMBL1178293 0.88 GPR6 (0.36) GPR6PLA2G4ALTB4RXIAP
SCHEMBL1178358 0.86 PTGDR2 (0.37) CNR1CYP2D6PTGDR2
SCHEMBL1178357 0.86 PTGDR2 (0.37) CNR1CYP2D6PTGDR2
SCHEMBL1179381 0.86 EGLN2 (0.34) GPR6XIAPPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8486943-B2 Tetrahydrocyclopenta[b]indole androgen receptor modulators ELI LILLY AND COMPANY (US) 2013-07-16 — — US disclosed
EP-2297100-B1 TETRAHYDROCYCLOPENTA[B]INDOLE ANDROGEN RECEPTOR MODULATORS LILLY CO ELI (US) 2012-10-31 — — EP disclosed
US-20110039855-A1 Tetrahydrocyclopenta[b]indole Androgen Receptor Modulators ELI LILLY AND COMPANY (US) 2011-02-17 — — US 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-20110039855-A1 Tetrahydrocyclopenta[b]indole Androgen Receptor Modulators AR, ADRA1B, ADRB1 ADORA2A 120/4885ADORA1 78/4885GPR6 47/4885

“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.

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