Sugi Predict

Sugi Predict / Compounds / SCHEMBL2315082

SCHEMBL2315082

SCHEMBL2315082

O=C(O)C[C@@H]1CC[C@@H](N(Cc2ccccc2F)CC2CCCC2)[C@H](c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 5/20 0.38
▸ SLC6A4 P31645 4/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ PKM P14618 1/20 0.36
▸ DGAT1 O75907 1/20 0.36
▸ PSEN1 P49768 2/20 0.35
▸ PSEN2 P49810 2/20 0.35
▸ APH1B Q8WW43 2/20 0.35
▸ NCSTN Q92542 2/20 0.35
▸ APH1A Q96BI3 2/20 0.35
▸ PSENEN Q9NZ42 2/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ LPAR1 Q92633 2/20 0.34
▸ LPAR5 Q9H1C0 2/20 0.34
▸ TACR1 P25103 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ MAOA P21397 2/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 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
SCHEMBL2315145 0.91 MEN1 (0.38) SLC6A2SLC6A4DGAT1PSEN1PSEN2
SCHEMBL6918642 0.90 MAOA (0.39) SLC6A2SLC6A4PSEN1PSEN2APH1B
SCHEMBL2317127 0.88 PSEN1 (0.41) DGAT1PSEN1PSEN2APH1BNCSTN
SCHEMBL2317862 0.88 PSEN1 (0.40) DGAT1PSEN1PSEN2APH1BNCSTN
SCHEMBL1709485 0.88 PSEN1 (0.40) DGAT1PSEN1PSEN2APH1BNCSTN
SCHEMBL2315528 0.88 PSEN1 (0.40) DGAT1PSEN1PSEN2APH1BNCSTN
SCHEMBL2318519 0.86 SIGMAR1 (0.37) SLC6A2SLC6A4PKMPSEN1PSEN2
SCHEMBL2315428 0.85 PKM (0.38) SLC6A2SLC6A4PKMDGAT1PSEN1
SCHEMBL10032990 0.84 PSEN1 (0.38) DGAT1PSEN1PSEN2APH1BNCSTN
SCHEMBL2315989 0.84 PSEN1 (0.38) DGAT1PSEN1PSEN2APH1BNCSTN

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 6 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 claimed
US-20120295923-A1 Aminocyclohexanes and Aminotetrahydropyrans and Related Compounds As Gamma-Secretase Modulators PFIZER INC. 2012-11-22 — — US claimed
WO-2011092611-A1 AMINOCYCLOHEXANES AND AMINOTETRAHYDROPYRANS AND RELATED COMPOUNDS AS GAMMA-SECRETASE MODULATORS PFIZER INC. (US) 2011-08-04 — — WO 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 SLC6A2 3885/4885SLC6A4 2897/4885ALDH1A1 1743/4885

“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.