SCHEMBL9892170

SCHEMBL9892170

CC(C)(C)c1nnc(NC(=O)[C@@H]2CCCN2C2CC2)s1

nearest known ligand 0.85

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 14/20 0.85
CNR1 P21554 8/20 0.51
TSHR P16473 1/20 0.51
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL9892168 0.96 CNR2 (0.83) CNR2CNR1TSHRMEN1KMT2A
SCHEMBL13257833 0.96 CNR2 (0.79) CNR2CNR1TSHRMEN1KMT2A
SCHEMBL9892171 0.96 CNR2 (0.83) CNR2CNR1TSHRMEN1KMT2A
SCHEMBL9892172 0.95 CNR2 (0.81) CNR2CNR1TSHRMEN1KMT2A
SCHEMBL13256830 0.94 CNR2 (0.79) CNR2CNR1TSHRMEN1KMT2A
SCHEMBL13256835 0.93 CNR2 (0.78) CNR2CNR1TSHRMEN1KMT2A
SCHEMBL9892167 0.92 CNR2 (1.00) CNR2CNR1TSHRMEN1KMT2A
SCHEMBL13256991 0.89 CNR2 (0.94) CNR2CNR1TSHRMEN1KMT2A
SCHEMBL9892391 0.86 CNR2 (0.68) CNR2CNR1TSHRMEN1KMT2A
SCHEMBL9892176 0.86 CNR2 (0.68) CNR2CNR1TSHRMEN1KMT2A

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 CNR2 1/4885CNR1 2/4885TSHR 1003/4885

“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.