SCHEMBL2548261

SCHEMBL2548261

NNC(=O)C1CCC(c2ncccc2Cl)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.49
MALT1 Q9UDY8 3/20 0.41
ABL1 P00519 1/20 0.41
ACVRL1 P37023 1/20 0.40
RIPK1 Q13546 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
CDK9 P50750 1/20 0.40
JAK3 P52333 1/20 0.40
GSK3B P49841 1/20 0.40
P2RX7 Q99572 1/20 0.38

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
SCHEMBL2548259 1.00 OPRL1 (0.49) OPRL1MALT1ABL1ACVRL1RIPK1
SCHEMBL12262405 0.84 OPRL1 (0.47) OPRL1MALT1ABL1GSK3BP2RX7
SCHEMBL2539880 0.84 RIPK1 (0.41) MALT1RIPK1GSK3BP2RX7
SCHEMBL2539878 0.84 RIPK1 (0.41) MALT1RIPK1GSK3BP2RX7
SCHEMBL2548349 0.82 OPRL1 (0.48) OPRL1RIPK1
SCHEMBL2548347 0.82 OPRL1 (0.48) OPRL1RIPK1
SCHEMBL2543401 0.82 P2RX7 (0.40) MALT1ACVRL1GSK3BP2RX7
SCHEMBL2543396 0.82 P2RX7 (0.40) MALT1ACVRL1GSK3BP2RX7
SCHEMBL364660 0.81 OPRL1 (0.57) OPRL1RIPK1
Potassium SCHEMBL29930080 0.79 OPRL1 (0.56) OPRL1RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2560975-B1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2015-06-17 EP disclosed
US-8492376-B2 Heteroaryl-cyclohexyl-tetraazabenzo[e]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-07-23 US disclosed
EP-2560975-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2013-02-27 EP disclosed
WO-2011131596-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-10-27 WO disclosed
US-20110263578-A1 HETEROARYL-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-20110263578-A1 HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AVPR1A, AVPR1B, OXTR OPRL1 8/4885MALT1 1648/4885ABL1 1403/4885

“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.