SCHEMBL12410059

SCHEMBL12410059

O=C1NC(c2ccc(F)cc2)C12CCNCC2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LIG1 P18858 1/20 0.41
GSK3B P49841 3/20 0.36
BACE1 P56817 3/20 0.36
LMNA P02545 1/20 0.35
SLC6A9 P48067 8/20 0.34
OPRM1 P35372 4/20 0.34
SLC6A5 Q9Y345 3/20 0.34
KCNH2 Q12809 1/20 0.34
PRCP P42785 1/20 0.33

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
SCHEMBL18746129 0.83 MAPT (0.42) KMT2ABACE1OPRM1
SCHEMBL5556903 0.75 SLC6A9 (0.58) SLC6A9OPRM1SLC6A5KCNH2
SCHEMBL5561878 0.75 SLC6A9 (0.58) SLC6A9OPRM1SLC6A5KCNH2
SCHEMBL1138347 0.75 SLC6A9 (0.58) SLC6A9OPRM1SLC6A5KCNH2
SCHEMBL12410058 0.75 SLC6A9 (0.40) KMT2ASMN1; SMN2NPSR1SLC6A9OPRM1
Hydrochloric Acid SCHEMBL5562493 0.74 SLC6A9 (0.57) SLC6A9OPRM1SLC6A5KCNH2
SCHEMBL7354999 0.70 KMT2A (0.51) KMT2ASMN1; SMN2NPSR1TDP1LIG1
SCHEMBL12492338 0.70 MEN1 (0.43) KMT2A
SCHEMBL3725717 0.69 LIG1 (0.42) TDP1LIG1SLC6A9OPRM1SLC6A5
Hydrochloric Acid SCHEMBL2336943 0.68 LIG1 (0.41) TDP1LIG1SLC6A9OPRM1SLC6A5

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 2 patents. 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
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 KMT2A 4310/4885SMN1; SMN2 3663/4885NPSR1 525/4885

“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.