SCHEMBL9892173

SCHEMBL9892173

CCCN1CCC[C@H]1C(=O)Nc1nnc(C(C)(C)C)s1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.60
SMN1; SMN2 Q16637 4/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP1A2 P05177 1/20 0.50
KCNK3 O14649 1/20 0.49
LMNA P02545 1/20 0.49
TSHR P16473 2/20 0.48
NR1I2 O75469 1/20 0.46
CNR1 P21554 3/20 0.43
DGAT1 O75907 1/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
KCNH2 Q12809 1/20 0.42
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL9892134 0.89 CNR2 (0.58) CNR2SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL9892169 0.86 CNR2 (0.60) CNR2SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL9892132 0.81 CNR2 (0.69) CNR2SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL9892170 0.80 CNR2 (0.85) CNR2SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL9892392 0.80 CNR2 (0.58) CNR2SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL9892175 0.80 CNR2 (0.58) CNR2SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL9892174 0.79 CNR2 (0.62) CNR2SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL9892171 0.79 CNR2 (0.83) CNR2SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL9892168 0.79 CNR2 (0.83) CNR2SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL13256990 0.78 CNR2 (0.65) CNR2SMN1; SMN2MEN1KMT2ACYP1A2

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 1/4885SMN1; SMN2 4659/4885MEN1 4874/4885

“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.