SCHEMBL4827893

SCHEMBL4827893

O=C(O)[C@H]1CCCN1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.54
CYP2C8 P10632 1/20 0.54
CYP2D6 P10635 1/20 0.54
CNR1 P21554 1/20 0.54
CYP2C19 P33261 1/20 0.54
NOTUM Q6P988 1/20 0.54
KMT2A Q03164 2/20 0.50
BACE1 P56817 1/20 0.47
SERPINE1 P05121 2/20 0.46
DGAT1 O75907 1/20 0.44
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
BRD4 O60885 1/20 0.42
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
CCR1 P32246 1/20 0.41
CCR2 P41597 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL2569669 1.00 CNR2 (0.54) CNR2CYP2C8CYP2D6CNR1CYP2C19
SCHEMBL2569671 1.00 CNR2 (0.54) CNR2CYP2C8CYP2D6CNR1CYP2C19
SCHEMBL16695431 0.81 FFAR4 (0.45) NOTUMKMT2ASMN1; SMN2ALDH1A1
SCHEMBL4827644 0.81 CNR2 (0.53) CNR2CYP2C8CYP2D6CNR1CYP2C19
SCHEMBL4827642 0.81 CNR2 (0.53) CNR2CYP2C8CYP2D6CNR1CYP2C19
SCHEMBL25262222 0.81 TDP1 (0.45) KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL432319 0.80 SMN1; SMN2 (0.51) NOTUMKMT2AMEN1SMN1; SMN2MAPT
SCHEMBL15664724 0.80 SMN1; SMN2 (0.51) NOTUMKMT2AMEN1SMN1; SMN2MAPT
SCHEMBL630857 0.80 SMN1; SMN2 (0.51) NOTUMKMT2AMEN1SMN1; SMN2MAPT
SCHEMBL2942985 0.80 SERPINE1 (0.48) CNR2CYP2C8CYP2D6CNR1CYP2C19

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 12 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-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
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
US-7408071-B2 N-aryl pyrrolidine derivatives as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-05 US disclosed
US-7408071-B2 N-aryl pyrrolidine derivatives as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-05 US disclosed
US-7408071-B2 N-aryl pyrrolidine derivatives as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-05 US disclosed
US-20070232679-A1 N-Aryl Pyrrolidine Derivatives as Beta-Secretase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-10-04 US disclosed
US-20070232679-A1 N-Aryl Pyrrolidine Derivatives as Beta-Secretase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-10-04 US disclosed
US-20070232679-A1 N-Aryl Pyrrolidine Derivatives as Beta-Secretase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-10-04 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 (2 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-20070232679-A1 N-Aryl Pyrrolidine Derivatives as Beta-Secretase Inhibitors BACE1, APP, PSEN1 CNR2 1657/4885CYP2C8 3200/4885CYP2D6 1893/4885
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CNR2 1/4885CYP2C8 807/4885CYP2D6 1472/4885

“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.