SCHEMBL6916644

SCHEMBL6916644

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

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 12/20 0.40
TP53 P04637 9/20 0.40
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
DRD2 P14416 2/20 0.36
OPRM1 P35372 2/20 0.36
DRD3 P35462 2/20 0.36

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
SCHEMBL1709466 0.99 MDM2 (0.41) MDM2TP53NPC1RAB9AKDM1A
SCHEMBL13964536 0.91 DRD2 (0.45) MDM2TP53DRD2OPRM1DRD3
SCHEMBL13964539 0.90 PSEN1 (0.40) MDM2TP53
SCHEMBL2317856 0.89 DRD2 (0.39) MDM2TP53KDM1AMAOAMAOB
SCHEMBL2317676 0.89 MDM2 (0.37) MDM2TP53DRD2OPRM1DRD3
SCHEMBL6917782 0.88 SIGMAR1 (0.45) RAB9A
SCHEMBL10032827 0.88 GPR88 (0.42) TP53NPC1RAB9AKDM1AMAOA
SCHEMBL2313658 0.86 PSEN1 (0.41) MDM2TP53KDM1AMAOAMAOB
SCHEMBL2316326 0.85 PSEN1 (0.42) MDM2TP53NPC1RAB9AMAOA
SCHEMBL2317127 0.85 PSEN1 (0.41) MAOA

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 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
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.