SCHEMBL19985865

SCHEMBL19985865

CC(C)(C)OC(=O)N[C@H]1CN(Cc2ccccc2)CCC1c1ccc(CO)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM1A O60341 2/20 0.44
MAOB P27338 1/20 0.44
PDE4B Q07343 1/20 0.44
KCNA3 P22001 1/20 0.42
SCN4A P35499 2/20 0.41
MEN1 O00255 1/20 0.41
MCHR1 Q99705 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL13461272 0.93 KMT2A (0.52) KMT2AL3MBTL1KDM1AMAOBPDE4B
SCHEMBL13434397 0.93 KMT2A (0.52) KMT2AL3MBTL1KDM1AMAOBPDE4B
SCHEMBL19985856 0.85 L3MBTL1 (0.45) KMT2AL3MBTL1PDE4BKCNA3MCHR1
SCHEMBL19985866 0.84 KMT2A (0.46) KMT2AL3MBTL1KDM1AMAOBPDE4B
SCHEMBL19985863 0.84 KMT2A (0.46) KMT2AL3MBTL1KDM1AMAOBPDE4B
SCHEMBL16780873 0.83 KMT2A (0.52) KMT2AL3MBTL1KDM1AMAOBPDE4B
SCHEMBL13858621 0.83 KMT2A (0.52) KMT2AL3MBTL1KDM1AMAOBPDE4B
SCHEMBL15716485 0.83 KMT2A (0.52) KMT2AL3MBTL1KDM1AMAOBPDE4B
SCHEMBL13858620 0.83 KMT2A (0.52) KMT2AL3MBTL1KDM1AMAOBPDE4B
SCHEMBL556530 0.83 KMT2A (0.55) KMT2AL3MBTL1MAOBKCNA3SCN4A

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-20180078541-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL Grünenthal GmbH (DE) 2018-03-22 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-20180078541-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL FPR2, FPR1, FPR3 KMT2A 3931/4885L3MBTL1 4536/4885KDM1A 4514/4885

“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.