SCHEMBL2534477

SCHEMBL2534477

CN(C)C(=O)C1[CH]CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GLI1 P08151 1/20 0.35
ATM Q13315 1/20 0.33
PKM P14618 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 2/20 0.32
EPHX1 P07099 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
BCHE P06276 1/20 0.31
MEN1 O00255 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
RAB9A P51151 1/20 0.30

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
SCHEMBL2539812 1.00 GLI1 (0.35) GLI1ATMPKMCTSBCTSS
SCHEMBL360733 0.98 GLI1 (0.36) GLI1ATMPKMCTSBCTSS
SCHEMBL2542483 0.92 GLI1 (0.37) GLI1CTSBCTSSCTSK
SCHEMBL2540271 0.85
SCHEMBL2337264 0.74
SCHEMBL5966226 0.74 POLB (0.36) POLBHPGDKMT2AEPHX1ALDH1A1
SCHEMBL2535485 0.72 EPHX1 (0.37) HPGDKMT2AEPHX1SMN1; SMN2MEN1
SCHEMBL2536084 0.72 EPHX1 (0.37) HPGDKMT2AEPHX1SMN1; SMN2MEN1
SCHEMBL2541191 0.72 GRM4 (0.39) HPGDKMT2AEPHX1ALDH1A1SMN1; SMN2
SCHEMBL2539796 0.72 GRM4 (0.39) HPGDKMT2AEPHX1ALDH1A1SMN1; SMN2

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-1642898-B1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD KK (JP) 2013-03-27 EP disclosed
US-8044070-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2011-10-25 US disclosed
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD K.K. (JP) 2010-08-19 US disclosed
US-7595316-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-29 US disclosed
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2006-08-10 US disclosed
EP-1642898-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 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 (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-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative HRH3, HRH4, HCRTR2 GLI1 1354/4885ATM 3889/4885PKM 3737/4885
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE HRH3, HRH4, HRH2 GLI1 776/4885ATM 3632/4885PKM 3247/4885

“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.