SCHEMBL13836326

SCHEMBL13836326

O=C(O)C[C@@H]1CC[C@@H](N(Cc2ccccc2)Cc2ccccc2)[C@H](c2ccc(C(F)(F)F)cc2)O1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 7/20 0.39
MTOR P42345 1/20 0.39
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
AR P10275 1/20 0.37
KCNH2 Q12809 1/20 0.36
SIGMAR1 Q99720 3/20 0.36
TMEM97 Q5BJF2 1/20 0.36
MAOA P21397 1/20 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
SCHEMBL6917695 0.84 MGLL (0.35) TACR1
SCHEMBL6917109 0.84 MGLL (0.35) TACR1
SCHEMBL13836554 0.79 FFAR4 (0.38) TACR1MAOA
SCHEMBL6917699 0.78 PSEN1 (0.40) SLC6A2SLC6A4
SCHEMBL6918702 0.73 FFAR1 (0.40) TACR1
SCHEMBL13836191 0.72 LIPC (0.37) KCNH2MAOA
SCHEMBL6918642 0.72 MAOA (0.39) TACR1MTORSLC6A2SLC6A4MAOA
SCHEMBL6917411 0.71 MDM2 (0.31)
SCHEMBL6917708 0.71 ALDH1A1 (0.39) KCNH2
SCHEMBL6918161 0.71 ALDH1A1 (0.39) KCNH2

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 1 patent. 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

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 TACR1 389/4885MTOR 671/4885SLC6A2 3885/4885

“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.