SCHEMBL2415487

SCHEMBL2415487

CC(C)(C)OC(=O)N1CCC(Nc2ccc(C(=O)O)cn2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.61
ALDH1A1 P00352 2/20 0.55
NPC1 O15118 1/20 0.54
MAPT P10636 1/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.54
RAB9A P51151 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
DDB1 Q16531 1/20 0.52
CRBN Q96SW2 1/20 0.52
SYK P43405 1/20 0.51
KMT2A Q03164 1/20 0.50
JAK1 P23458 1/20 0.50
GPR119 Q8TDV5 4/20 0.49
USP30 Q70CQ3 1/20 0.49
PRMT5 O14744 1/20 0.49
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47

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
SCHEMBL1938074 0.90 GPR119 (0.56) HCAR3ALDH1A1NPC1MAPTMAPK1
SCHEMBL4226344 0.90 ALDH1A1 (0.57) HCAR3ALDH1A1NPC1MAPTMAPK1
SCHEMBL595609 0.86 ALDH1A1 (0.57) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL16976334 0.86 SYK (0.58) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL3776289 0.86 ALDH1A1 (0.54) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL2419028 0.86 ALDH1A1 (0.57) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL2774486 0.85 ALDH1A1 (0.56) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL22825511 0.85 ALDH1A1 (0.56) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL3117391 0.85 ALDH1A1 (0.56) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL29518225 0.85 ALDH1A1 (0.56) ALDH1A1NPC1MAPTMAPK1HTT

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 HCAR3 140/4885ALDH1A1 2244/4885NPC1 1205/4885
US-20080045544-A1 Phenyl, Pyridine, Quinoline, Isoquinoline, Naphthyridine and Pyrazine Derivatives SSTR5, SSTR3, SSTR1 HCAR3 140/4885ALDH1A1 2244/4885NPC1 1205/4885

“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.