SCHEMBL2315428

SCHEMBL2315428

O=C(O)C[C@@H]1CC[C@@H](N(Cc2cccc(F)c2)CC2CCCC2)[C@H](c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.38
DGAT1 O75907 3/20 0.37
CCR5 P51681 1/20 0.36
SLC6A2 P23975 4/20 0.36
SLC6A3 Q01959 1/20 0.36
OPRM1 P35372 1/20 0.35
MGLL Q99685 1/20 0.35
SLC6A4 P31645 3/20 0.35
TACR1 P25103 2/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
MAOA P21397 1/20 0.34
UBE2M P61081 2/20 0.33
DCUN1D1 Q96GG9 2/20 0.33
CYP3A4 P08684 1/20 0.33
PDE2A O00408 1/20 0.33

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
SCHEMBL6918642 0.91 MAOA (0.39) SLC6A2MGLLSLC6A4TACR1PSEN1
SCHEMBL2315414 0.91 MDM2 (0.37) DGAT1MGLLTACR1PSEN1PSEN2
SCHEMBL6918826 0.90 PKM (0.39) PKMDGAT1SLC6A2SLC6A3OPRM1
SCHEMBL2318519 0.89 SIGMAR1 (0.37) PKMSLC6A2SLC6A4PSEN1PSEN2
SCHEMBL2317127 0.86 PSEN1 (0.41) DGAT1MGLLPSEN1PSEN2APH1B
SCHEMBL1709485 0.85 PSEN1 (0.40) DGAT1MGLLTACR1PSEN1PSEN2
SCHEMBL2315528 0.85 PSEN1 (0.40) DGAT1MGLLTACR1PSEN1PSEN2
SCHEMBL2317862 0.85 PSEN1 (0.40) DGAT1MGLLPSEN1PSEN2APH1B
SCHEMBL2315082 0.85 SLC6A2 (0.38) PKMDGAT1SLC6A2SLC6A3MGLL
SCHEMBL2316326 0.85 PSEN1 (0.42) SLC6A2SLC6A4PSEN1PSEN2APH1B

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 5 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 claimed
US-20120295923-A1 Aminocyclohexanes and Aminotetrahydropyrans and Related Compounds As Gamma-Secretase Modulators PFIZER INC. 2012-11-22 US claimed
WO-2011092611-A1 AMINOCYCLOHEXANES AND AMINOTETRAHYDROPYRANS AND RELATED COMPOUNDS AS GAMMA-SECRETASE MODULATORS PFIZER INC. (US) 2011-08-04 WO claimed
US-20120295923-A1 Aminocyclohexanes and Aminotetrahydropyrans and Related Compounds As Gamma-Secretase Modulators PFIZER INC. 2012-11-22 US 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 PKM 3945/4885DGAT1 3607/4885CCR5 3102/4885

“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.