SCHEMBL4150368

SCHEMBL4150368

CC(OCc1ccccc1)C1(C(N)=O)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.49
SLC1A2 P43004 2/20 0.49
SLC1A1 P43005 2/20 0.49
CYP2D6 P10635 2/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 3/20 0.42
LTA4H P09960 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALOX5 P09917 2/20 0.40
PARP10 Q53GL7 1/20 0.39
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 1/20 0.38
MMP9 P14780 1/20 0.38

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
SCHEMBL21046167 0.81 SLC1A3 (0.44) SLC1A3SLC1A2SLC1A1CYP2D6MEN1
SCHEMBL10718988 0.76 SMN1; SMN2 (0.51) SLC1A3SLC1A2SLC1A1CYP2D6MEN1
SCHEMBL4150375 0.76 SLC1A3 (0.44) SLC1A3SLC1A2SLC1A1CYP2D6MEN1
Carbamic Acid SCHEMBL27457276 0.75 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1CYP2D6MEN1
SCHEMBL26961850 0.74 SLC1A2 (0.46) SLC1A3SLC1A2SLC1A1CYP2D6MEN1
SCHEMBL26963671 0.74 SLC1A3 (0.53) SLC1A3SLC1A2SLC1A1CYP2D6MEN1
SCHEMBL18381513 0.74 SLC1A3 (0.53) SLC1A3SLC1A2SLC1A1CYP2D6MEN1
SCHEMBL376695 0.74 SLC1A3 (0.53) SLC1A3SLC1A2SLC1A1CYP2D6MEN1
SCHEMBL29067369 0.73 ALDH1A1 (0.49) SLC1A3SLC1A2SLC1A1CYP2D6MEN1
SCHEMBL29067368 0.73 ALDH1A1 (0.49) SLC1A3SLC1A2SLC1A1CYP2D6MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US disclosed
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B SLC1A3 3942/4885SLC1A2 3467/4885SLC1A1 3664/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B SLC1A3 3900/4885SLC1A2 3456/4885SLC1A1 3697/4885

“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.