SCHEMBL2389658

SCHEMBL2389658

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

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
PREP P48147 1/20 0.46
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
CYP2C19 P33261 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44

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
SCHEMBL2395087 0.90 HTR2C (0.46) HTR2CSMN1; SMN2NPC1RAB9APDK1
SCHEMBL2390647 0.86 SMN1; SMN2 (0.45) HTR2CSMN1; SMN2NPC1RAB9APREP
SCHEMBL1643460 0.86 HTR2C (0.51) HTR2CSMN1; SMN2NPC1RAB9APREP
SCHEMBL2390240 0.84 PREP (0.46) HTR2CSMN1; SMN2NPC1RAB9APREP
SCHEMBL2390987 0.81 SMN1; SMN2 (0.48) HTR2CSMN1; SMN2NPC1RAB9APREP
SCHEMBL2393739 0.81 PDK1 (0.51) HTR2CSMN1; SMN2NPC1RAB9APREP
SCHEMBL2388729 0.79 SMN1; SMN2 (0.47) HTR2CSMN1; SMN2NPC1RAB9APREP
SCHEMBL6745607 0.77 SMN1; SMN2 (0.58) HTR2CSMN1; SMN2NPC1RAB9APREP
SCHEMBL21241492 0.76 HTR2C (0.52) HTR2CSMN1; SMN2NPC1RAB9APREP
SCHEMBL29997810 0.76 PSEN1 (0.50) HTR2CSMN1; SMN2NPC1RAB9APREP

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 HTR2C 112/4885SMN1; SMN2 3154/4885NPC1 2764/4885

“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.