SCHEMBL2317856

SCHEMBL2317856

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.39
OPRM1 P35372 2/20 0.39
DRD3 P35462 2/20 0.39
MDM2 Q00987 10/20 0.35
TP53 P04637 9/20 0.35
PSEN1 P49768 6/20 0.35
PSEN2 P49810 6/20 0.35
APH1B Q8WW43 6/20 0.35
NCSTN Q92542 6/20 0.35
APH1A Q96BI3 6/20 0.35
PSENEN Q9NZ42 6/20 0.35
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 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
SCHEMBL2319230 0.90 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6916644 0.89 MDM2 (0.40) DRD2OPRM1DRD3MDM2TP53
SCHEMBL1709466 0.88 MDM2 (0.41) DRD2OPRM1DRD3MDM2TP53
SCHEMBL13964536 0.87 DRD2 (0.45) DRD2OPRM1DRD3MDM2TP53
SCHEMBL2313658 0.84 PSEN1 (0.41) DRD2OPRM1DRD3MDM2TP53
SCHEMBL2316326 0.83 PSEN1 (0.42) MDM2TP53PSEN1PSEN2APH1B
SCHEMBL2316485 0.83 PSEN1 (0.40) DRD2OPRM1DRD3PSEN1PSEN2
SCHEMBL13964539 0.82 PSEN1 (0.40) MDM2TP53PSEN1PSEN2APH1B
SCHEMBL6917637 0.82 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2317127 0.81 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A

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 6 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
WO-2011092611-A1 AMINOCYCLOHEXANES AND AMINOTETRAHYDROPYRANS AND RELATED COMPOUNDS AS GAMMA-SECRETASE MODULATORS PFIZER INC. (US) 2011-08-04 WO 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 DRD2 1417/4885OPRM1 1137/4885DRD3 1642/4885

“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.