SCHEMBL9892268

SCHEMBL9892268

CCc1nc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)nn1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
HTRA1 Q92743 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
LMNA P02545 3/20 0.37
THRB P10828 1/20 0.37
JAK1 P23458 1/20 0.36
RIPK1 Q13546 1/20 0.36
MAPT P10636 1/20 0.36
UCHL1 P09936 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
NTRK1 P04629 1/20 0.35
MCL1 Q07820 1/20 0.35
SLC5A1 P13866 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
SCHEMBL9108039 0.89 HTRA1 (0.40) POLBCYP1A2CYP3A4CYP2C19HTRA1
SCHEMBL9892924 0.86 MEN1 (0.48) POLBMEN1KMT2ALMNATHRB
SCHEMBL13257808 0.84 MEN1 (0.52) POLBMEN1KMT2ALMNATHRB
SCHEMBL9107659 0.76 MAPT (0.52) POLBCYP1A2CYP3A4CYP2C19HTRA1
SCHEMBL9892061 0.75 CNR2 (0.51) CYP3A4LMNAJAK1
SCHEMBL20458247 0.74 LMNA (0.40) POLBLMNATHRBMAPT
SCHEMBL1273334 0.73 POLB (0.55) POLBCYP1A2CYP3A4CYP2C19HTRA1
SCHEMBL9105214 0.73 ADORA3 (0.55) POLBCYP1A2CYP3A4CYP2C19MEN1
SCHEMBL9101715 0.73 ADORA3 (0.55) POLBCYP1A2CYP3A4CYP2C19MEN1
SCHEMBL18578574 0.73 POLB (0.58) POLBCYP1A2CYP3A4CYP2C19HTRA1

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-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US 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
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 POLB 2879/4885CYP1A2 1529/4885CYP3A4 1707/4885

“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.