SCHEMBL19985863

SCHEMBL19985863

CC(C)(C)OC(=O)N[C@H]1CN(Cc2ccccc2)C(=O)C[C@@H]1c1ccc(CO)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 3/20 0.42
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.42
KDM1A O60341 2/20 0.42
MAOB P27338 2/20 0.42
HPGD P15428 1/20 0.42
PDE4B Q07343 2/20 0.42
FPR1 P21462 3/20 0.42
PDE4A P27815 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL19985866 1.00 KMT2A (0.46) KMT2AL3MBTL1ALDH1A1TSHRMAPK1
SCHEMBL13461299 0.93 KMT2A (0.49) KMT2AL3MBTL1ALDH1A1TSHRMAPK1
SCHEMBL13434396 0.93 KMT2A (0.49) KMT2AL3MBTL1ALDH1A1TSHRMAPK1
SCHEMBL19985844 0.85 FPR1 (0.45) KMT2AL3MBTL1ALDH1A1TSHRMAPK1
SCHEMBL19985865 0.84 KMT2A (0.48) KMT2AL3MBTL1KDM1AMAOBPDE4B
SCHEMBL6865331 0.79 KMT2A (0.60) KMT2AL3MBTL1ALDH1A1TSHRMAPK1
SCHEMBL5425216 0.79 KMT2A (0.60) KMT2AL3MBTL1ALDH1A1TSHRMAPK1
SCHEMBL19972384 0.78 FPR1 (0.55) KMT2AL3MBTL1ALDH1A1PDE4BFPR1
SCHEMBL19985853 0.77 FPR1 (0.51) KMT2AL3MBTL1ALDH1A1MAPK1FPR1
SCHEMBL16780873 0.77 KMT2A (0.52) KMT2AL3MBTL1KDM1AMAOBPDE4B

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 4536/4885ALDH1A1 3156/4885

“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.