SCHEMBL9237484

SCHEMBL9237484

CC(C)(C)c1nc(N)sc1C#N.O=C(O)[C@@H]1CCC(=O)N1c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.50
P2RX7 Q99572 3/20 0.37
PTGER2 P43116 3/20 0.36
PTGER3 P43115 2/20 0.36
PTGDR Q13258 2/20 0.36
CYP2C8 P10632 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
POLB P06746 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PHGDH O43175 1/20 0.34
CNR1 P21554 1/20 0.32

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
SCHEMBL2572997 0.76 CNR2 (0.52) CNR2P2RX7PTGER2PTGER3POLB
SCHEMBL2572998 0.76 CNR2 (0.52) CNR2P2RX7PTGER2PTGER3POLB
SCHEMBL16238288 0.74 CNR2 (0.60) CNR2P2RX7PTGER2PTGER3PTGDR
SCHEMBL9109062 0.70 CNR2 (0.53) CNR2P2RX7PTGER2PTGER3POLB
SCHEMBL9109050 0.70 CNR2 (0.53) CNR2P2RX7PTGER2PTGER3POLB
SCHEMBL9237546 0.69 TDP1 (0.41) CNR2HDAC6CNR1
SCHEMBL3713140 0.69 CNR2 (0.53) CNR2P2RX7POLB
SCHEMBL3713136 0.69 CNR2 (0.53) CNR2P2RX7POLB
SCHEMBL9288212 0.69 CNR2 (0.56) CNR2P2RX7CYP2C8CYP2C9CYP2C19
SCHEMBL13285262 0.68 PHGDH (0.43) CNR2P2RX7PTGER2PTGER3CYP2C8

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 2 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

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 1/4885P2RX7 26/4885PTGER2 186/4885

“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.