SCHEMBL3318604

SCHEMBL3318604

COc1ccc(C(C)NC2CN(C(=O)O)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.49
NPY1R P25929 8/20 0.47
SLC6A4 P31645 5/20 0.47
KCNH2 Q12809 4/20 0.47
ACACB O00763 4/20 0.45
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
ACHE P22303 1/20 0.43
RORC P51449 2/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
MEN1 O00255 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL3315251 0.86 ACACB (0.52) KDM1ANPY1RSLC6A4KCNH2ACACB
SCHEMBL3317082 0.84 EPHX2 (0.45) ACACBACHE
SCHEMBL3317146 0.84 L3MBTL1 (0.42) NPY1RSLC6A4TAS1R3TAS1R1
SCHEMBL3315968 0.82 ADRB2 (0.48) NPY1RSLC6A4KCNH2RAB9A
SCHEMBL3310959 0.79 PANK3 (0.42) KDM1A
SCHEMBL22342849 0.78 KDM1A (0.55) KDM1ANPY1RSLC6A4KCNH2ACACB
SCHEMBL3320853 0.77 DPP4 (0.45) ACACBMEN1RAB9AKMT2A
SCHEMBL2571281 0.77 HSD17B2 (0.45) CA1CA2MEN1KMT2A
SCHEMBL3314353 0.74 KDM1A (0.51) KDM1ANPY1RSLC6A4KCNH2ACACB
SCHEMBL22342837 0.74 GAA (0.62) KDM1ASLC6A4CA1CA2ACHE

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-20100105651-A1 ANTAGONISTS OF SNS SODIUM CHANNELS VERNALIS (R&D) LIMITED (GB) 2010-04-29 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-20100105651-A1 ANTAGONISTS OF SNS SODIUM CHANNELS CNR1, OPRL1, CHRNA10 KDM1A 3657/4885NPY1R 104/4885SLC6A4 370/4885

“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.