SCHEMBL7005259

SCHEMBL7005259

C[C@@H](N[S@+]([O-])C(C)(C)C)c1ccc(F)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 1/20 0.30
HTR2B P41595 1/20 0.30
GPR65 Q8IYL9 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
SCHEMBL2149997 1.00 HTR1B (0.30) HTR1BHTR2BGPR65
SCHEMBL2150691 0.91 MAPKAPK2 (0.32)
SCHEMBL7004275 0.91 MAPKAPK2 (0.32)
SCHEMBL7007750 0.85 HTR2A (0.33)
SCHEMBL2150743 0.85 HTR2A (0.33)
SCHEMBL7004899 0.84 CYP1A2 (0.39)
SCHEMBL2150465 0.84 CYP1A2 (0.39)
SCHEMBL14863768 0.83 MAPKAPK2 (0.40)
SCHEMBL17031936 0.83 MAPKAPK2 (0.40)
SCHEMBL18673898 0.83 MAPKAPK2 (0.40)

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 3 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

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 HTR1B 370/4885HTR2B 467/4885GPR65 228/4885
US-20120122941-A1 CYCLOALKYLAMINE DERIVATIVES CASR, CALCR, CALCRL HTR1B 370/4885HTR2B 467/4885GPR65 228/4885

“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.