SCHEMBL25836004

SCHEMBL25836004

CCOc1nnc(C2CCC(Oc3ccccn3)CC2)n1-c1ccc(I)cc1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 20/20 0.50
KCNH2 Q12809 5/20 0.47
AVPR2 P30518 2/20 0.47

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
SCHEMBL25300718 0.90 AVPR1A (0.56) AVPR1AKCNH2AVPR2
SCHEMBL25300717 0.90 AVPR1A (0.56) AVPR1AKCNH2AVPR2
SCHEMBL25835837 0.89 AVPR1A (0.57) AVPR1AKCNH2AVPR2
SCHEMBL25835821 0.88 AVPR1A (0.50) AVPR1AKCNH2AVPR2
SCHEMBL25835716 0.86 AVPR1A (0.53) AVPR1AKCNH2AVPR2
SCHEMBL25837204 0.84 AVPR1A (0.48) AVPR1AKCNH2AVPR2
SCHEMBL25835870 0.84 AVPR1A (0.48) AVPR1AKCNH2AVPR2
SCHEMBL25837198 0.82 AVPR1A (0.50) AVPR1AKCNH2AVPR2
SCHEMBL25225759 0.80 AVPR1A (0.58) AVPR1AKCNH2AVPR2
SCHEMBL25263279 0.80 AVPR1A (0.58) AVPR1AKCNH2AVPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230202990-A1 CYCLOHEXYL SUBSTITUTED TRIAZOLES HOFFMANN-LA ROCHE INC. (US) 2023-06-29 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-20230202990-A1 CYCLOHEXYL SUBSTITUTED TRIAZOLES AVPR1A, AVPR1B, AVPR2 AVPR1A 1/4885KCNH2 2524/4885AVPR2 3/4885

“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.