SCHEMBL9893055

SCHEMBL9893055

Cc1cc(N2C(=O)CCC2C)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.43
ABL1 P00519 2/20 0.42
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
ADAMTS5 Q9UNA0 2/20 0.36
PER2 O15055 3/20 0.36
CRY2 Q49AN0 1/20 0.36
HDAC1 Q13547 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
MMP2 P08253 1/20 0.35
CCR1 P32246 1/20 0.35
CCR2 P41597 1/20 0.35
GRM2 Q14416 2/20 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
SCHEMBL9893163 0.88 CCR1 (0.45) PARP1ABL1SLC6A2SLC6A4SLC6A3
SCHEMBL9892990 0.88 ABL1 (0.44) PARP1ABL1SLC6A2SLC6A4SLC6A3
SCHEMBL16480395 0.84 SLC6A2 (0.52) PARP1ABL1SLC6A2SLC6A4SLC6A3
SCHEMBL16480426 0.82 SLC6A2 (0.53) ABL1SLC6A2SLC6A4SLC6A3CCNA2
SCHEMBL9891773 0.81 HDAC1 (0.36) ADAMTS5HDAC1HDAC8HDAC6MMP2
SCHEMBL16480372 0.81 SLC6A2 (0.52) PARP1ABL1SLC6A2SLC6A4SLC6A3
SCHEMBL16542459 0.81 ABL1 (0.44) PARP1ABL1SLC6A2SLC6A4SLC6A3
SCHEMBL9107374 0.80 TSHR (0.42) HDAC1HDAC8HDAC6CCR1CCR2
SCHEMBL9107363 0.80 TSHR (0.42) HDAC1HDAC8HDAC6CCR1CCR2
SCHEMBL16480393 0.79 TDP1 (0.47) ABL1SLC6A2SLC6A4SLC6A3CCNA2

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
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
WO-2010077836-A2 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-08 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 (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 PARP1 1041/4885ABL1 2669/4885SLC6A2 2741/4885

“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.