SCHEMBL9110608

SCHEMBL9110608

CN1CCN(C(=O)C2CCC(=O)N2c2ccc(Cl)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA7 P43166 1/20 0.50
CNR2 P34972 3/20 0.47
GFER P55789 1/20 0.47
POLB P06746 2/20 0.47
TSHR P16473 2/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
TNF P01375 1/20 0.43
GAA P10253 2/20 0.43
P2RX7 Q99572 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 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
SCHEMBL9110592 1.00 CA1 (0.50) CA1CA2CA4CA7CNR2
SCHEMBL10112869 0.87 NPSR1 (0.43) CA1CA2CA4CA7POLB
SCHEMBL9109117 0.84 GFER (0.56) GFERTSHRKMT2AMEN1ALDH1A1
SCHEMBL9109125 0.84 GFER (0.56) GFERTSHRKMT2AMEN1ALDH1A1
SCHEMBL9891953 0.79 CNR2 (0.53) CNR2POLBKMT2AALDH1A1P2RX7
SCHEMBL2572998 0.78 CNR2 (0.52) CA1CA2CA4CA7CNR2
SCHEMBL2572997 0.78 CNR2 (0.52) CA1CA2CA4CA7CNR2
SCHEMBL13285265 0.76 CNR2 (0.51) CA1CA2CA4CA7CNR2
SCHEMBL9891958 0.76 P2RX7 (0.52) CNR2ALDH1A1P2RX7
SCHEMBL31439851 0.76 CNR2 (0.54) CA1CA2CA4CA7CNR2

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
EP-2384320-B1 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2015-03-04 EP 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

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 CA1 4291/4885CA2 2996/4885CA4 4124/4885

“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.