SCHEMBL4484593

SCHEMBL4484593

NC(=O)c1nn(Cc2ccccc2)c2c1CC1CC21

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 14/20 0.58
CNR1 P21554 13/20 0.58
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CCNA1 P78396 1/20 0.42
HPGD P15428 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AADAT Q8N5Z0 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL4499907 0.80 CCNA2 (0.40) CNR2CNR1CCNA2CDK2CCNA1
SCHEMBL13631657 0.80 CCNA2 (0.40) CNR2CNR1CCNA2CDK2CCNA1
SCHEMBL11972257 0.80 CNR2 (0.68) CNR2CNR1
SCHEMBL4488829 0.76 CNR2 (0.46) CNR2CNR1HPGDALDH1A1SMN1; SMN2
SCHEMBL13631512 0.76 CNR2 (0.46) CNR2CNR1HPGDALDH1A1SMN1; SMN2
SCHEMBL29717984 0.74 CNR2 (1.00) CNR2CNR1
SCHEMBL5079503 0.72 CCNA2 (0.47) CCNA2CDK2CCNA1HPGDALDH1A1
SCHEMBL31707114 0.71 CCNA2 (0.39) CNR2CNR1CCNA2CDK2CCNA1
SCHEMBL5525718 0.71 CCNA2 (0.42) CCNA2CDK2CCNA1HPGDALDH1A1
SCHEMBL5528723 0.71 CCNA2 (0.42) CCNA2CDK2CCNA1HPGDALDH1A1

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-7612106-B2 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2009-11-03 US disclosed
US-20090258892-A1 FUSED PYRAZOLE DERIVATIVES AND METHODS OF TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2009-10-15 US disclosed
US-7241792-B2 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2007-07-10 US disclosed
US-20070073062-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. 2007-03-29 US disclosed
US-20060205955-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2006-09-14 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 (3 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-20090258892-A1 FUSED PYRAZOLE DERIVATIVES AND METHODS OF TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF ACE, ACE2, AGTR2 CNR2 1103/4885CNR1 1425/4885CCNA2 4456/4885
US-20070073062-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ACE, ACE2, AGTR2 CNR2 1103/4885CNR1 1425/4885CCNA2 4456/4885
US-20060205955-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ACE, ACE2, AGTR2 CNR2 1103/4885CNR1 1425/4885CCNA2 4456/4885

“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.