SCHEMBL6917416

SCHEMBL6917416

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

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 2/20 0.48
TP53 P04637 1/20 0.48
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42

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
SCHEMBL1709430 0.88 MDM2 (0.46) MDM2TP53SLC6A4SLC6A3
SCHEMBL1709367 0.88 MEN1 (0.46) MDM2TP53
SCHEMBL6918303 0.87 KDM1A (0.47) SLC6A4SLC6A3
SCHEMBL6918804 0.84 KDM4E (0.45)
SCHEMBL28817040 0.78 IDO1 (0.56) MDM2TP53SLC6A3
SCHEMBL1709495 0.78 MEN1 (0.38) MDM2TP53
SCHEMBL6917744 0.77 HRH3 (0.44)
SCHEMBL1709360 0.76 L3MBTL1 (0.43) MDM2TP53SLC6A3
SCHEMBL1709472 0.73 DGAT1 (0.39)
SCHEMBL3554788 0.73 HDAC8 (0.50)

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 3 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 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 1049/4885TP53 1502/4885SLC6A4 2897/4885

“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.