SCHEMBL6917769

SCHEMBL6917769

Cc1cc(Cl)ccc1[C@@H]1O[C@H](CC(=O)O)CC[C@H]1N(CC1CCCC1)CC1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 10/20 0.38
EPHX2 P34913 2/20 0.38
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
TP53 P04637 3/20 0.35
EPHX1 P07099 1/20 0.34
CXCR3 P49682 3/20 0.34
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
IDH1 O75874 1/20 0.33
PTGDR Q13258 1/20 0.33
PTGDR2 Q9Y5Y4 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
SCHEMBL13836534 1.00 MDM2 (0.38) MDM2EPHX2PSEN1PSEN2APH1B
SCHEMBL2318758 0.85 MDM2 (0.47) MDM2EPHX2TP53
SCHEMBL6918652 0.84 MDM2 (0.41) MDM2TP53
SCHEMBL2317340 0.77 MDM2 (0.35) MDM2CXCR3PTGDR
SCHEMBL6917411 0.75 MDM2 (0.31) MDM2EPHX2
SCHEMBL6918702 0.75 FFAR1 (0.40) EPHX2LMNA
SCHEMBL6917109 0.73 MGLL (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2316531 0.73 KMT2A (0.35) MDM2PTGDR2
SCHEMBL6917695 0.73 MGLL (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6917599 0.69 DGAT1 (0.40) 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 4 patents. 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 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 MDM2 1049/4885EPHX2 1678/4885PSEN1 3/4885

“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.