SCHEMBL13836639

SCHEMBL13836639

CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(C(=O)O)C(=O)O)C[C@H]1c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.50
MAOB P27338 2/20 0.48
MAOA P21397 1/20 0.45
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RORC P51449 2/20 0.37
SLC6A3 Q01959 6/20 0.37
SLC6A4 P31645 3/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
MMP13 P45452 1/20 0.37
SLC6A2 P23975 3/20 0.36
KDM4D Q6B0I6 1/20 0.35
DRD2 P14416 1/20 0.35
OPRM1 P35372 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL2364133 0.89 KDM1A (0.48) KDM1AMAOBMAOAKMT2AL3MBTL1
SCHEMBL13836077 0.89 KDM1A (0.50) KDM1AMAOBMAOAKMT2AL3MBTL1
SCHEMBL17984453 0.82 KDM1A (0.70) KDM1AMAOBMAOARORCSLC6A3
SCHEMBL18016108 0.82 KDM1A (0.70) KDM1AMAOBMAOARORCSLC6A3
SCHEMBL5508735 0.82 KDM1A (0.70) KDM1AMAOBMAOARORCSLC6A3
SCHEMBL16355420 0.82 KDM1A (0.70) KDM1AMAOBMAOARORCSLC6A3
SCHEMBL15200609 0.82 KDM1A (0.70) KDM1AMAOBMAOARORCSLC6A3
SCHEMBL19609152 0.74 KDM1A (0.61) KDM1AMAOBMAOAHDAC6
SCHEMBL15425020 0.72 KDM1A (0.70) KDM1AMAOBMAOAKMT2AL3MBTL1
SCHEMBL4817372 0.72 KDM1A (0.74) KDM1AMAOBMAOAKMT2AL3MBTL1

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
EP-2528890-A1 AMINOCYCLOHEXANES AND AMINOTETRAHYDROPYRANS AND RELATED COMPOUNDS AS GAMMA-SECRETASE MODULATORS Pfizer Inc. (US) 2012-12-05 EP disclosed
US-20120295923-A1 Aminocyclohexanes and Aminotetrahydropyrans and Related Compounds As Gamma-Secretase Modulators PFIZER INC. 2012-11-22 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-20120295923-A1 Aminocyclohexanes and Aminotetrahydropyrans and Related Compounds As Gamma-Secretase Modulators BACE1, BACE2, PSEN1 KDM1A 3181/4885MAOB 1516/4885MAOA 1171/4885

“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.