SCHEMBL9892146

SCHEMBL9892146

O=C(Nc1nc2ccc(Cl)cc2s1)[C@@H]1CCCN1CC1CCOCC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.72
CNR1 P21554 3/20 0.61
ALDH1A1 P00352 2/20 0.58
LMNA P02545 2/20 0.58
HPGD P15428 1/20 0.58
ALOX12 P18054 1/20 0.58
HTT P42858 1/20 0.58
CLK1 P49759 2/20 0.58
POLB P06746 2/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
CASP3 P42574 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
LRRK2 Q5S007 1/20 0.54
USP30 Q70CQ3 1/20 0.50

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
SCHEMBL13257842 0.97 CNR2 (0.68) CNR2CNR1ALDH1A1LMNAHPGD
SCHEMBL13257770 0.97 CNR2 (0.68) CNR2CNR1ALDH1A1LMNAHPGD
SCHEMBL9892145 0.93 CNR2 (0.72) CNR2CNR1ALDH1A1LMNAHPGD
SCHEMBL13257777 0.90 CNR2 (0.68) CNR2CNR1ALDH1A1LMNAHPGD
SCHEMBL13257837 0.90 CNR2 (0.68) CNR2CNR1ALDH1A1LMNAHPGD
SCHEMBL9892150 0.83 CNR2 (1.00) CNR2CNR1ALDH1A1LMNAHPGD
SCHEMBL16238391 0.81 CNR2 (0.50) CNR2CNR1ALDH1A1LMNAHPGD
SCHEMBL13257052 0.81 CNR2 (0.94) CNR2CNR1ALDH1A1LMNAHPGD
SCHEMBL9892138 0.80 CNR2 (0.62) CNR2CNR1POLBNPC1RAB9A
SCHEMBL13285006 0.79 KMT2A (0.57) CNR2CNR1ALDH1A1LMNAALOX12

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 CNR2 1/4885CNR1 2/4885ALDH1A1 3279/4885

“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.