SCHEMBL1178260

SCHEMBL1178260

COc1c(F)cccc1Cn1c2c(c3cc(C#N)ccc31)CC(NC(=O)OC(C)C)C2

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GPR6 P46095 6/20 0.35
▸ GUCY1A1 Q02108 1/20 0.33
▸ GUCY1B1 Q02153 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ RORC P51449 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ GRIN1 Q05586 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ SCARB1 Q8WTV0 1/20 0.32
▸ HTR3A P46098 1/20 0.32
▸ KDM4D Q6B0I6 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ XIAP P98170 1/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ MAPK1 P28482 1/20 0.31

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
SCHEMBL1178262 1.00 GPR6 (0.35) GPR6GUCY1A1GUCY1B1KCNH2PTGDR2
SCHEMBL1179379 0.91 EGLN2 (0.34) GPR6GUCY1A1GUCY1B1KCNH2PTGDR2
SCHEMBL1179381 0.91 EGLN2 (0.34) GPR6GUCY1A1GUCY1B1KCNH2PTGDR2
SCHEMBL1420698 0.90 GPR6 (0.37) GPR6GUCY1A1GUCY1B1KCNH2PTGDR2
SCHEMBL13626291 0.88 PPARG (0.33) PTGDR2PPARG
SCHEMBL1178506 0.88 ADORA2A (0.39) GPR6PTGDR2ADORA2AADORA1XIAP
SCHEMBL1178508 0.88 ADORA2A (0.39) GPR6PTGDR2ADORA2AADORA1XIAP
SCHEMBL1178481 0.86 DRD2 (0.35) PTGDR2RORCSCARB1HTR3AKDM4D
SCHEMBL1178476 0.86 DRD2 (0.35) PTGDR2RORCSCARB1HTR3AKDM4D
SCHEMBL1178358 0.84 PTGDR2 (0.37) PTGDR2RORCHTR3AKDM4DCNR1

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 GPR6 47/4885GUCY1A1 173/4885GUCY1B1 199/4885

“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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