SCHEMBL6918652

SCHEMBL6918652

O=C(O)C[C@@H]1CC[C@@H](N(CC2CCCC2)CC2CCCC2)[C@H](c2ccc(Cl)cc2)O1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 12/20 0.41
TP53 P04637 4/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
OXTR P30559 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
AGER Q15109 1/20 0.33
IDO1 P14902 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
SCHEMBL6917411 0.89 MDM2 (0.31) MDM2
SCHEMBL2318758 0.88 MDM2 (0.47) MDM2TP53
SCHEMBL6917109 0.86 MGLL (0.35)
SCHEMBL6917695 0.86 MGLL (0.35)
SCHEMBL2316531 0.86 KMT2A (0.35) MDM2NPC1RAB9A
SCHEMBL2317340 0.85 MDM2 (0.35) MDM2SLC6A2SLC6A4
SCHEMBL13836534 0.84 MDM2 (0.38) MDM2TP53
SCHEMBL6917769 0.84 MDM2 (0.38) MDM2TP53
SCHEMBL6917599 0.79 DGAT1 (0.40)
SCHEMBL6918702 0.79 FFAR1 (0.40) RAB9A

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
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
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 1502/4885NPC1 1436/4885

“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.