SCHEMBL25736629

SCHEMBL25736629

CNC(=O)Cn1c(=O)n(C2CCN([C@H]3Cc4cccc5cccc3c45)CC2)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 20/20 1.00
OPRM1 P35372 13/20 1.00
OPRD1 P41143 2/20 0.67
OPRK1 P41145 1/20 0.67
KCNH2 Q12809 1/20 0.61

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
SCHEMBL1711157 1.00 OPRL1 (1.00) OPRL1OPRM1OPRD1OPRK1KCNH2
SCHEMBL1711153 1.00 OPRL1 (1.00) OPRL1OPRM1OPRD1OPRK1KCNH2
SCHEMBL29408438 1.00 OPRL1 (1.00) OPRL1OPRM1OPRD1OPRK1KCNH2
Hydrochloric Acid SCHEMBL30456124 0.98 OPRL1 (0.96) OPRL1OPRM1OPRD1OPRK1KCNH2
Hydrochloric Acid SCHEMBL22408650 0.98 OPRL1 (0.96) OPRL1OPRM1OPRD1OPRK1KCNH2
Hydrochloric Acid SCHEMBL22408651 0.98 OPRL1 (0.96) OPRL1OPRM1OPRD1OPRK1KCNH2
SCHEMBL1710960 0.96 OPRL1 (0.93) OPRL1OPRM1OPRD1OPRK1KCNH2
SCHEMBL1710965 0.96 OPRL1 (0.93) OPRL1OPRM1OPRD1OPRK1KCNH2
SCHEMBL3592330 0.89 OPRL1 (0.79) OPRL1OPRM1OPRD1KCNH2
SCHEMBL2238943 0.89 OPRL1 (0.79) OPRL1OPRM1OPRD1OPRK1KCNH2

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-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF THE BROAD INSTITUTE, INC. 2023-06-22 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-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF ERBB2, ACP1, TK1 OPRL1 2460/4885OPRM1 2668/4885OPRD1 3475/4885

“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.