SCHEMBL9892292

SCHEMBL9892292

CCc1nc(NC(=O)[C@@H]2C[C@@H](O)CN2)nn1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
CTSC P53634 1/20 0.39
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SLC5A1 P13866 6/20 0.36
ALDH1A1 P00352 1/20 0.36
CNR2 P34972 2/20 0.35
CNR1 P21554 1/20 0.35
KHK P50053 1/20 0.35
CDKN1A P38936 1/20 0.35
TDP1 Q9NUW8 1/20 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
SCHEMBL9892870 0.84 KHK (0.46) LMNAMAPK1SMN1; SMN2L3MBTL1TSHR
SCHEMBL13257170 0.81 KHK (0.49) LMNACTSCMAPK1L3MBTL1TSHR
SCHEMBL16254892 0.75 LMNA (0.68) LMNAMAPK1SMN1; SMN2L3MBTL1TSHR
SCHEMBL9892906 0.74 LMNA (0.51) LMNAMAPK1SMN1; SMN2L3MBTL1TSHR
SCHEMBL20458216 0.72 LMNA (0.49) LMNAMAPK1SMN1; SMN2L3MBTL1TSHR
SCHEMBL9891530 0.72 ALDH1A1 (0.52) LMNAMAPK1SMN1; SMN2L3MBTL1TSHR
SCHEMBL9892061 0.71 CNR2 (0.51) LMNAMAPK1CNR2CNR1
SCHEMBL24322672 0.71 DPP4 (0.56) CTSCSMN1; SMN2L3MBTL1TSHRTDP1
SCHEMBL21585407 0.71 DPP4 (0.56) CTSCSMN1; SMN2L3MBTL1TSHRTDP1
SCHEMBL21585402 0.71 DPP4 (0.56) CTSCSMN1; SMN2L3MBTL1TSHRTDP1

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
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

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 LMNA 4696/4885CTSC 1632/4885MAPK1 1463/4885

“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.