SCHEMBL9891752

SCHEMBL9891752

CCc1ccc(N2C(=O)CCC2C(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
POLB P06746 3/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MGLL Q99685 1/20 0.40
CCR1 P32246 1/20 0.40
CCR2 P41597 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
PTGER2 P43116 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL9891776 0.87 PTGER2 (0.35) TDP1PTGER2
SCHEMBL9891777 0.87 IDH1 (0.39) POLBPTGER2DDB1CRBNNPSR1
SCHEMBL9891775 0.84 PTGER2 (0.39) TDP1PTGER2
SCHEMBL9891751 0.83 GAA (0.42) POLBCCR1CCR2RAB9AMEN1
SCHEMBL9891753 0.81 L3MBTL1 (0.47) TDP1MGLLPTGER2DDB1CRBN
SCHEMBL9891731 0.81 CNR2 (0.42) ALDH1A1TDP1CCR1CCR2MEN1
SCHEMBL24434658 0.81 SRD5A1 (0.39) ALDH1A1MEN1KMT2A
SCHEMBL4644173 0.80 ALDH1A1 (0.43) ALDH1A1POLBKDM4ECYP1A2HPGD
SCHEMBL9891754 0.79 POLB (0.50) ALDH1A1POLBCYP1A2TDP1MEN1
SCHEMBL9891771 0.79 L3MBTL1 (0.36) ALDH1A1CYP1A2TDP1PTGER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 3279/4885POLB 2879/4885KDM4E 2527/4885

“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.