SCHEMBL2543960

SCHEMBL2543960

Fc1ccc2c(c1)onc2[C@H]1CC[C@H](c2nnc3n2-c2ccc(Cl)cc2CNC3)CC1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 6/20 0.53
KCNH2 Q12809 2/20 0.47
ACHE P22303 2/20 0.45
DRD2 P14416 2/20 0.42
SLC6A4 P31645 1/20 0.42
HTR6 P50406 2/20 0.40
HTR2A P28223 1/20 0.40
HTR7 P34969 1/20 0.40
SCD O00767 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
SCHEMBL2543959 1.00 AVPR1A (0.53) AVPR1AKCNH2ACHEDRD2SLC6A4
Hydrochloric Acid SCHEMBL2538014 0.99 AVPR1A (0.53) AVPR1AKCNH2ACHEDRD2SLC6A4
Hydrochloric Acid SCHEMBL2538017 0.99 AVPR1A (0.53) AVPR1AKCNH2ACHEDRD2SLC6A4
SCHEMBL2545618 0.93 AVPR1A (0.53) AVPR1AKCNH2SCD
SCHEMBL2545622 0.93 AVPR1A (0.53) AVPR1AKCNH2SCD
Hydrochloric Acid SCHEMBL2538260 0.92 AVPR1A (0.53) AVPR1AKCNH2SCD
Hydrochloric Acid SCHEMBL2538257 0.92 AVPR1A (0.53) AVPR1AKCNH2SCD
SCHEMBL2544627 0.88 AVPR1A (0.58) AVPR1AKCNH2
SCHEMBL2538862 0.88 AVPR1A (0.58) AVPR1AKCNH2
SCHEMBL2538866 0.88 AVPR1A (0.58) AVPR1AKCNH2

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
EP-2571879-B1 HETEROBIARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN LA ROCHE (CH) 2015-10-21 EP claimed
US-8481528-B2 Heterobiaryl-cyclohexyl-tetraazabenzo[e]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-07-09 US claimed
US-20110263573-A1 HETEROBIARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2011-10-27 US claimed
EP-2571879-B1 HETEROBIARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN LA ROCHE (CH) 2015-10-21 EP disclosed
US-8481528-B2 Heterobiaryl-cyclohexyl-tetraazabenzo[e]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-07-09 US disclosed
US-8481528-B2 Heterobiaryl-cyclohexyl-tetraazabenzo[e]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-07-09 US disclosed
US-8481528-B2 Heterobiaryl-cyclohexyl-tetraazabenzo[e]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-07-09 US disclosed
US-20110263573-A1 HETEROBIARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2011-10-27 US disclosed
US-20110263573-A1 HETEROBIARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2011-10-27 US disclosed
US-20110263573-A1 HETEROBIARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2011-10-27 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-20110263573-A1 HETEROBIARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AVPR1B, AVPR1A, AVPR2 AVPR1A 2/4885KCNH2 875/4885ACHE 1851/4885

“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.