SCHEMBL9893046

SCHEMBL9893046

C=Cc1ccc(N2C(=O)CCC2C)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38
ABL1 P00519 2/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
HRH3 Q9Y5N1 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PER2 O15055 6/20 0.35
KMT2A Q03164 1/20 0.33
CRY2 Q49AN0 1/20 0.32
PTGER3 P43115 1/20 0.32
PTGER2 P43116 1/20 0.32
SRD5A1 P18405 1/20 0.32
SRD5A2 P31213 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL9891765 0.80 CACNA1B (0.35) ALDH1A1KMT2APTGER3PTGER2
SCHEMBL4636834 0.80 GAA (0.46) CCNA2CDK2CCNA1ABL1SLC6A2
SCHEMBL30912518 0.78 ALDH1A1 (0.42) CCNA2CDK2CCNA1ABL1SLC6A2
SCHEMBL22658820 0.78 SLC6A2 (0.46) CCNA2CDK2CCNA1ABL1SLC6A2
SCHEMBL30912507 0.78 ALDH1A1 (0.42) CCNA2CDK2CCNA1ABL1SLC6A2
SCHEMBL25416662 0.78 ALDH1A1 (0.42) CCNA2CDK2CCNA1ABL1SLC6A2
SCHEMBL16480393 0.78 TDP1 (0.47) CCNA2CDK2CCNA1ABL1SLC6A2
SCHEMBL11112763 0.78 ESR1 (0.49) CCNA2CDK2CCNA1ABL1SLC6A2
SCHEMBL10131414 0.78 CYP3A4 (0.41) CCNA2CDK2CCNA1ABL1SLC6A2
SCHEMBL9893145 0.78 SLC6A2 (0.46) CCNA2CDK2CCNA1ABL1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2384320-B1 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2015-03-04 EP disclosed
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 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 (1 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-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CCNA2 2114/4885CDK2 670/4885CCNA1 2312/4885

“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.