SCHEMBL13836698

SCHEMBL13836698

O=C(O)C[C@@H]1CC[C@@H](NCC2CCCC2)[C@H](c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 13/20 0.47
MAOA P21397 5/20 0.47
MAOB P27338 4/20 0.47
RCOR1 Q9UKL0 4/20 0.43
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
LIPC P11150 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL13836606 0.81 PSEN1 (0.43) KDM1AMAOAMAOBPSEN1PSEN2
SCHEMBL2315950 0.81 KDM1A (0.43) KDM1AMAOAMAOBRCOR1HDAC6
SCHEMBL10032825 0.81 KDM1A (0.38) KDM1AMAOAMAOBRCOR1SIGMAR1
SCHEMBL13836191 0.79 LIPC (0.37) KDM1AMAOAMAOBLIPCLIPG
SCHEMBL2317127 0.78 PSEN1 (0.41) MAOAPSEN1PSEN2APH1BNCSTN
SCHEMBL13836164 0.78 DPEP1 (0.38) KDM1AMAOAMAOBPSEN1PSEN2
SCHEMBL13836451 0.77 P2RY14 (0.46) KDM1AMAOAMAOBRCOR1PSEN1
SCHEMBL13836267 0.77 P2RY14 (0.46) KDM1AMAOAMAOBRCOR1PSEN1
SCHEMBL2315528 0.77 PSEN1 (0.40) MAOAPSEN1PSEN2APH1BNCSTN
SCHEMBL1709487 0.77 PSEN1 (0.40) MAOAPSEN1PSEN2APH1BNCSTN

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 3181/4885MAOA 1171/4885MAOB 1516/4885

“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.