SCHEMBL2390647

SCHEMBL2390647

CC[C@@H]1N(C(=O)OCc2ccccc2)CC[C@@]1(O)CC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
PREP P48147 2/20 0.45
HTR2C P28335 1/20 0.44
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
ACE2 Q9BYF1 1/20 0.42

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
SCHEMBL2388729 0.88 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9APREPHTR2C
SCHEMBL2389658 0.86 HTR2C (0.48) SMN1; SMN2NPC1RAB9APREPHTR2C
SCHEMBL19224064 0.84 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9APREPHTR2C
SCHEMBL2393741 0.83 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9APREPHTR2C
SCHEMBL2390240 0.83 PREP (0.46) SMN1; SMN2NPC1RAB9APREPHTR2C
SCHEMBL25698141 0.80 PSEN1 (0.50) SMN1; SMN2NPC1RAB9APREPHTR2C
SCHEMBL29997810 0.80 PSEN1 (0.50) SMN1; SMN2NPC1RAB9APREPHTR2C
SCHEMBL2395087 0.80 HTR2C (0.46) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL1643460 0.77 HTR2C (0.51) SMN1; SMN2NPC1RAB9APREPHTR2C
SCHEMBL8056769 0.77 NAMPT (0.46) SMN1; SMN2NPC1RAB9ACYP2C19MEN1

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 SMN1; SMN2 3154/4885NPC1 2764/4885RAB9A 2308/4885

“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.