SCHEMBL7004100

SCHEMBL7004100

C[C@@H](N)c1ccc(F)c2cc(F)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.43
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
HTR2A P28223 5/20 0.37
HTR2C P28335 4/20 0.37
PSEN1 P49768 2/20 0.34
PSEN2 P49810 2/20 0.34
APH1B Q8WW43 2/20 0.34
NCSTN Q92542 2/20 0.34
APH1A Q96BI3 2/20 0.34
PSENEN Q9NZ42 2/20 0.34
CA3 P07451 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 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
Hydrochloric Acid SCHEMBL2150248 0.98 PDE2A (0.42) PDE2ALMNATP53HTTHTR2A
SCHEMBL1253164 0.79 PDE2A (0.43) PDE2ALMNATP53HTTHTR2A
SCHEMBL7003988 0.79 PDE2A (0.43) PDE2ALMNATP53HTTHTR2A
SCHEMBL30682753 0.78 PSEN1 (0.46) PDE2ALMNATP53HTTHTR2A
SCHEMBL1761854 0.78 PDE2A (0.60) PDE2ALMNATP53HTTHTR2A
SCHEMBL29668895 0.78 PSEN1 (0.46) PDE2ALMNATP53HTTHTR2A
SCHEMBL18588971 0.78 PSEN1 (0.46) PDE2ALMNATP53HTTHTR2A
SCHEMBL706808 0.78 PDE2A (0.60) PDE2ALMNATP53HTTHTR2A
SCHEMBL20238249 0.78 PSEN1 (0.46) PDE2ALMNATP53HTTHTR2A
SCHEMBL29673215 0.78 PDE2A (0.60) PDE2ALMNATP53HTTHTR2A

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
US-9133140-B2 Cycloalkylamne derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-09-15 US disclosed
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-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
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 PDE2A 2231/4885LMNA 2694/4885TP53 3821/4885
US-20120122941-A1 CYCLOALKYLAMINE DERIVATIVES CASR, CALCR, CALCRL PDE2A 2231/4885LMNA 2694/4885TP53 3821/4885

“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.