SCHEMBL12410058

SCHEMBL12410058

CB(O)N1CCC2(CC1)C(=O)NC2c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 13/20 0.40
OPRM1 P35372 5/20 0.39
SLC6A5 Q9Y345 3/20 0.39
KCNH2 Q12809 1/20 0.39
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PLD1 Q13393 5/20 0.38
PLD2 O14939 4/20 0.38
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL12492338 0.75 MEN1 (0.43) KMT2A
SCHEMBL12410059 0.75 KMT2A (0.45) SLC6A9OPRM1SLC6A5KCNH2KMT2A
SCHEMBL8212205 0.72 CACNA1H (0.58) KMT2A
SCHEMBL15099412 0.68 AGTR2 (0.47) SLC6A9OPRM1SLC6A5KCNH2KMT2A
SCHEMBL14058007 0.67 RORC (0.41) KMT2A
SCHEMBL7354999 0.66 KMT2A (0.51) KMT2ASMN1; SMN2NPSR1
SCHEMBL15094369 0.66 AGTR2 (0.51) SLC6A9OPRM1SLC6A5KCNH2KMT2A
SCHEMBL16367030 0.65 AGTR2 (0.47) SLC6A9OPRM1SLC6A5KCNH2KMT2A
SCHEMBL14263456 0.65 AGTR2 (0.39) SLC6A9OPRM1KMT2A
SCHEMBL14263430 0.64 AGTR2 (0.49) SLC6A9OPRM1SLC6A5KCNH2KMT2A

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-20110166124-A1 TRICYCLIC SPIROCYCLE DERIVATIVES AND METHODS OF USE MCCORMICK KEVIN D 2011-07-07 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-20110166124-A1 TRICYCLIC SPIROCYCLE DERIVATIVES AND METHODS OF USE GPR119, TRPV1, NR3C2 SLC6A9 3513/4885OPRM1 1209/4885SLC6A5 3164/4885

“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.