SCHEMBL2417150

SCHEMBL2417150

CC(C)(C)OC(=O)N1CCC(Nc2nc(Cl)cc3ccccc23)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.52
NSD2 O96028 1/20 0.52
CNR2 P34972 1/20 0.52
ALDH1A1 P00352 2/20 0.52
NPC1 O15118 1/20 0.52
MAPT P10636 1/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
RAB9A P51151 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
BTK Q06187 2/20 0.49
DNMT3A Q9Y6K1 1/20 0.49
GPR119 Q8TDV5 4/20 0.48
BRD4 O60885 1/20 0.47
KDM1A O60341 1/20 0.47
EHMT2 Q96KQ7 1/20 0.47
RCOR1 Q9UKL0 1/20 0.47
IRAK4 Q9NWZ3 1/20 0.45
USP30 Q70CQ3 1/20 0.45
STS P08842 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
SCHEMBL22054240 0.86 NSD2 (0.51) CNR1NSD2CNR2ALDH1A1NPC1
SCHEMBL9911789 0.84 NSD2 (0.53) CNR1NSD2CNR2ALDH1A1NPC1
SCHEMBL2418283 0.83 ACHE (0.52) CNR1NSD2CNR2ALDH1A1NPC1
SCHEMBL16008301 0.81 PIK3CD (0.51) CNR1NSD2ALDH1A1NPC1MAPT
SCHEMBL16008300 0.81 PIK3CD (0.51) CNR1NSD2ALDH1A1NPC1MAPT
SCHEMBL9911806 0.81 NSD2 (0.50) CNR1NSD2CNR2ALDH1A1NPC1
SCHEMBL1694560 0.80 ALDH1A1 (0.55) CNR1NSD2CNR2ALDH1A1NPC1
SCHEMBL2331519 0.80 BTK (0.52) CNR1NSD2CNR2ALDH1A1NPC1
SCHEMBL2331523 0.80 BTK (0.52) CNR1NSD2CNR2ALDH1A1NPC1
SCHEMBL16008235 0.79 NSD2 (0.53) NSD2ALDH1A1BTKGPR119BRD4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8026255-B2 Substituted piperidines as somatostatin receptor subtype 5 (SSTR5) antagonists HOFFMAN-LA ROCHE INC. (US) 2011-09-27 US disclosed
US-20100222350-A1 PHENYL, PYRIDINE, QUINOLINE, ISOQUINOLINE, NAPHTHYRIDINE AND PYRAZINE DERIVATIVES BINGGELI ALFRED 2010-09-02 US disclosed
US-7754744-B2 Substituted piperidinamines as somatostatin receptor subtype 5 (SSTR5) antagonists HOFFMANN-LA ROCHE INC. (US) 2010-07-13 US disclosed
US-20080045544-A1 Phenyl, Pyridine, Quinoline, Isoquinoline, Naphthyridine and Pyrazine Derivatives F. HOFFMANN-LA ROCHE AG (CH) 2008-02-21 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 (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-20100222350-A1 PHENYL, PYRIDINE, QUINOLINE, ISOQUINOLINE, NAPHTHYRIDINE AND PYRAZINE DERIVATIVES SSTR5, SSTR3, SSTR1 CNR1 77/4885NSD2 3315/4885CNR2 100/4885
US-20080045544-A1 Phenyl, Pyridine, Quinoline, Isoquinoline, Naphthyridine and Pyrazine Derivatives SSTR5, SSTR3, SSTR1 CNR1 77/4885NSD2 3315/4885CNR2 100/4885

“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.