SCHEMBL2391021

SCHEMBL2391021

C[C@@H]1CC(=O)[C@H](C)N1C(=O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.63
CACNA1G O43497 1/20 0.57
CACNA1H O95180 1/20 0.57
CACNA1I Q9P0X4 1/20 0.57
PSEN1 P49768 2/20 0.47
PSEN2 P49810 2/20 0.47
APH1B Q8WW43 2/20 0.47
NCSTN Q92542 2/20 0.47
APH1A Q96BI3 2/20 0.47
PSENEN Q9NZ42 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 1/20 0.45
HCRTR2 O43614 1/20 0.45
CYP2C19 P33261 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PDK1 Q15118 1/20 0.43

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
SCHEMBL25635525 1.00 HTR2C (0.63) HTR2CCACNA1GCACNA1HCACNA1IPSEN1
SCHEMBL31316158 0.87 HTR2C (0.72) HTR2CCACNA1GCACNA1HCACNA1IPSEN1
SCHEMBL4052931 0.87 HTR2C (0.72) HTR2CCACNA1GCACNA1HCACNA1IPSEN1
SCHEMBL30800897 0.84 HTR2C (0.57) HTR2CCACNA1GCACNA1HCACNA1IPSEN1
SCHEMBL29012379 0.84 HTR2C (0.57) HTR2CCACNA1GCACNA1HCACNA1IPSEN1
SCHEMBL29440145 0.84 HTR2C (0.57) HTR2CCACNA1GCACNA1HCACNA1IPSEN1
SCHEMBL25635682 0.84 HTR2C (0.57) HTR2CCACNA1GCACNA1HCACNA1IPSEN1
SCHEMBL4388000 0.81 HTR2C (0.71) HTR2CCACNA1GCACNA1HCACNA1IPSEN1
SCHEMBL4388003 0.81 HTR2C (0.71) HTR2CCACNA1GCACNA1HCACNA1IPSEN1
SCHEMBL31629096 0.81 HTR2C (0.64) HTR2CCACNA1GCACNA1HCACNA1IPSEN1

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 7 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
EP-2098507-A1 CYCLIC AMINE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-09-09 EP 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 HTR2C 112/4885CACNA1G 4129/4885CACNA1H 4258/4885

“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.