SCHEMBL2055552

SCHEMBL2055552

CC(=O)N1CCC(C)(C(N)=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 2/20 0.40
EPHX2 P34913 2/20 0.40
ALDH1A1 P00352 4/20 0.39
CYP2C19 P33261 3/20 0.39
MAPK1 P28482 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP2C9 P11712 4/20 0.38
TSHR P16473 1/20 0.38
CYP3A4 P08684 3/20 0.37
CYP2D6 P10635 2/20 0.37
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALOX12 P18054 1/20 0.36
PIK3CD O00329 1/20 0.35
CASP6 P55212 1/20 0.35

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
SCHEMBL345818 0.83 FFAR3 (0.37) ALDH1A1
SCHEMBL13804020 0.82 CYP1A2 (0.46) CYP1A2TDP1SMN1; SMN2KDM4EUSP2
SCHEMBL7440979 0.80 FFAR3 (0.56) CYP1A2TDP1SMN1; SMN2KDM4EUSP2
SCHEMBL24961728 0.78 CYP1A2 (0.43) CYP1A2TDP1SMN1; SMN2KDM4EUSP2
SCHEMBL12136865 0.78 CYP1A2 (0.43) CYP1A2TDP1SMN1; SMN2KDM4EUSP2
SCHEMBL2055551 0.77 SCN1A (0.37) CYP1A2TDP1
SCHEMBL584005 0.77 CYP1A2 (0.46) CYP1A2TDP1SMN1; SMN2KDM4EUSP2
SCHEMBL16892245 0.77 CYP1A2 (0.41) CYP1A2TDP1SMN1; SMN2KDM4EUSP2
SCHEMBL11997948 0.77 EPHX2 (0.53) CYP1A2TDP1SMN1; SMN2KDM4EUSP2
Hydrochloric Acid SCHEMBL30747450 0.76 CYP1A2 (0.44) CYP1A2TDP1SMN1; SMN2KDM4EUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3092229-B1 PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS BRISTOL MYERS SQUIBB CO (US) 2018-03-28 EP disclosed
US-8921380-B2 Pyrazolo[1,5-a] pyrimidine compounds as CB1 receptor antagonist MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-12-30 US disclosed
US-8921380-B2 Pyrazolo[1,5-a] pyrimidine compounds as CB1 receptor antagonist MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-12-30 US disclosed
US-20120202992-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST TANIMOTO KOICHI (JP) 2012-08-09 US disclosed
US-20120202992-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST TANIMOTO KOICHI (JP) 2012-08-09 US disclosed
US-8163759-B2 Pyrazolo[1,5-A] pyrimidine compounds as CB1 receptor antagonist MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-04-24 US disclosed
US-8163759-B2 Pyrazolo[1,5-A] pyrimidine compounds as CB1 receptor antagonist MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-04-24 US disclosed
US-20090258867-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-15 US disclosed
US-20090258867-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-15 US disclosed
WO-2008004698-A2 PYRAZOLO [1, 5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-01-10 WO 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-20120202992-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST CNR1, CNR2, CCKAR CYP1A2 2063/4885TDP1 4506/4885SMN1; SMN2 4089/4885
US-20090258867-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST CNR1, CNR2, CCKAR CYP1A2 1869/4885TDP1 4665/4885SMN1; SMN2 4292/4885

“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.