SCHEMBL7007750

SCHEMBL7007750

C[C@@H](N[S@@+]([O-])C(C)(C)C)c1ccc(F)c2cc(F)ccc12

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
KCNH2 Q12809 1/20 0.33
PSEN1 P49768 2/20 0.33
PSEN2 P49810 2/20 0.33
APH1B Q8WW43 2/20 0.33
NCSTN Q92542 2/20 0.33
APH1A Q96BI3 2/20 0.33
PSENEN Q9NZ42 2/20 0.33
JAK2 O60674 1/20 0.30
NTRK1 P04629 1/20 0.30
NTRK3 Q16288 1/20 0.30
NTRK2 Q16620 1/20 0.30

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
SCHEMBL2150743 1.00 HTR2A (0.33) HTR2ASLC6A4KCNH2PSEN1PSEN2
SCHEMBL30582950 0.86 PSEN1 (0.40) HTR2ASLC6A4KCNH2PSEN1PSEN2
SCHEMBL20237851 0.86 PSEN1 (0.40) HTR2ASLC6A4KCNH2PSEN1PSEN2
SCHEMBL29668771 0.86 PSEN1 (0.40) HTR2ASLC6A4KCNH2PSEN1PSEN2
SCHEMBL23148369 0.86 PSEN1 (0.40) HTR2ASLC6A4KCNH2PSEN1PSEN2
SCHEMBL23148371 0.86 PSEN1 (0.40) HTR2ASLC6A4KCNH2PSEN1PSEN2
SCHEMBL20237852 0.86 PSEN1 (0.40) HTR2ASLC6A4KCNH2PSEN1PSEN2
SCHEMBL20237848 0.86 PSEN1 (0.40) HTR2ASLC6A4KCNH2PSEN1PSEN2
SCHEMBL21063771 0.86 PSEN1 (0.40) HTR2ASLC6A4KCNH2PSEN1PSEN2
SCHEMBL7005259 0.85 HTR1B (0.30)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133140-B2 Cycloalkylamne derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-09-15 US disclosed
US-20120295943-A9 CYCLOALKYLAMINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-11-22 US disclosed
US-20120122941-A1 CYCLOALKYLAMINE DERIVATIVES MARUMOTO SHINJI (JP) 2012-05-17 US disclosed
WO-2010021351-A1 CYCLOALKYLAMINE DERIVATIVE 第一三共株式会社 (JP) 2010-02-25 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 (2 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-20120295943-A9 CYCLOALKYLAMINE DERIVATIVES CASR, CALCR, CALCRL HTR2A 616/4885SLC6A4 2396/4885KCNH2 633/4885
US-20120122941-A1 CYCLOALKYLAMINE DERIVATIVES CASR, CALCR, CALCRL HTR2A 616/4885SLC6A4 2396/4885KCNH2 633/4885

“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.