SCHEMBL9893088

SCHEMBL9893088

O=C(Nc1nc2cc(Cl)ccc2n1CC1CCOCC1)[C@@H]1CCCN1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PFKFB2 O60825 1/20 0.46
PFKFB1 P16118 1/20 0.46
PFKFB3 Q16875 1/20 0.46
CDK9 P50750 1/20 0.45
CNR2 P34972 8/20 0.39
ROCK2 O75116 3/20 0.39
ALOX5 P09917 1/20 0.39
CNR1 P21554 2/20 0.39
RPS6KA3 P51812 1/20 0.39
BACE1 P56817 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTR2C P28335 1/20 0.38
PDGFRB P09619 2/20 0.38
FLT3 P36888 2/20 0.38
IKBKB O14920 1/20 0.38
JAK2 O60674 1/20 0.38
KIT P10721 1/20 0.38
PDGFRA P16234 1/20 0.38
FLT1 P17948 1/20 0.38

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
SCHEMBL16480410 0.83 CASP1 (0.48) CNR2CNR1BACE1KDM4ENPSR1
SCHEMBL2579492 0.82 CNR2 (0.47) CNR2ALOX5CNR1RPS6KA3BACE1
SCHEMBL9893013 0.82 KDM4E (0.50) CNR2ROCK2CNR1BACE1KDM4E
SCHEMBL9892143 0.81 CNR2 (0.60) CNR2ALOX5CNR1RPS6KA3KDM4E
SCHEMBL9891924 0.81 CNR2 (0.47) CNR2CNR1
SCHEMBL9892389 0.78 CNR2 (0.48) CNR2ALOX5CNR1BACE1KDM4E
SCHEMBL9103411 0.77 ALDH1A1 (0.51) CNR2CNR1KDM4ENPSR1
SCHEMBL3779776 0.74 CNR2 (0.46) CNR2ALOX5CNR1BACE1
SCHEMBL3779780 0.72 BACE1 (0.52) CNR2ALOX5BACE1
SCHEMBL9893083 0.69 NPC1 (0.47) CNR2ROCK2HTR2C

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 3 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-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 PFKFB2 3193/4885PFKFB1 3072/4885PFKFB3 3062/4885

“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.