SCHEMBL2391599

SCHEMBL2391599

CC(C)[C@H]1C(=O)CCN1C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.52
ACE2 Q9BYF1 1/20 0.49
PARP1 P09874 1/20 0.48
PSEN1 P49768 1/20 0.48
PSEN2 P49810 1/20 0.48
APH1B Q8WW43 1/20 0.48
NCSTN Q92542 1/20 0.48
APH1A Q96BI3 1/20 0.48
PSENEN Q9NZ42 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
PREP P48147 1/20 0.47
HTR2C P28335 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP2C19 P33261 1/20 0.46

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
SCHEMBL13073095 0.84 HTR2C (0.52) PARP1PSEN1PSEN2APH1BNCSTN
SCHEMBL1643399 0.84 HTR2C (0.52) PARP1PSEN1PSEN2APH1BNCSTN
SCHEMBL15289830 0.83 KMT2A (0.49) AOC3ACE2PARP1PSEN1PSEN2
SCHEMBL4389665 0.83 KMT2A (0.49) AOC3ACE2PARP1PSEN1PSEN2
SCHEMBL31700094 0.82 HTR2C (0.50) PARP1HTR2C
SCHEMBL2390727 0.82 PSEN1 (0.51) PARP1PSEN1PSEN2APH1BNCSTN
SCHEMBL18976934 0.81 AOC3 (0.50) AOC3ACE2PARP1NPC1RAB9A
SCHEMBL3823845 0.81 NPC1 (0.50) PARP1PSEN1PSEN2APH1BNCSTN
SCHEMBL3080868 0.81 PREP (0.47) ACE2PARP1PSEN1PSEN2APH1B
SCHEMBL23478113 0.80 PSEN1 (0.62) PARP1PSEN1PSEN2APH1BNCSTN

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-2098507-B1 Cyclic amine compound as androgen receptor modulator TAKEDA PHARMACEUTICAL (JP) 2014-11-12 EP disclosed
US-8013008-B2 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-09-06 US disclosed
US-8013008-B2 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-09-06 US disclosed
US-8013008-B2 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-09-06 US disclosed
US-20100087506-A1 CYCLIC AMINE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
US-20100087506-A1 CYCLIC AMINE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-08 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-20100087506-A1 CYCLIC AMINE COMPOUND AR, FSHR, NR5A1 AOC3 1315/4885ACE2 3504/4885PARP1 1933/4885

“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.