SCHEMBL13836191

SCHEMBL13836191

O=C(O)C[C@@H]1CC[C@@H](NCC2CCCC2)[C@H](c2ccc(C(F)(F)F)cc2)O1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LIPC P11150 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
KDM1A O60341 4/20 0.36
MAOA P21397 3/20 0.36
MAOB P27338 2/20 0.36
MLYCD O95822 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KCNH2 Q12809 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
MCHR1 Q99705 1/20 0.35
MGLL Q99685 1/20 0.35
NAMPT P43490 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
DGAT1 O75907 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
SCHEMBL13836539 0.83 PSEN1 (0.36) MGLLNAMPT
SCHEMBL6917109 0.80 MGLL (0.35) MCHR1MGLLNAMPTDGAT1
SCHEMBL6917695 0.80 MGLL (0.35) MCHR1MGLLNAMPTDGAT1
SCHEMBL13836698 0.79 KDM1A (0.47) LIPCLIPGKDM1AMAOAMAOB
SCHEMBL13836554 0.79 FFAR4 (0.38) MAOAMAOB
SCHEMBL6917699 0.74 PSEN1 (0.40) MCHR1
SCHEMBL13835957 0.72 PSEN1 (0.35) MCHR1MGLL
SCHEMBL13836326 0.72 TACR1 (0.39) MAOAKCNH2
SCHEMBL13836506 0.71 FFAR4 (0.38) MGLL
SCHEMBL2315950 0.69 KDM1A (0.43) KDM1AMAOAMAOBHDAC6

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-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 LIPC 2376/4885LIPG 1812/4885KDM1A 3181/4885

“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.