SCHEMBL9892077

SCHEMBL9892077

C[C@@]1(C(=O)Nc2ccc(C(F)(F)F)cn2)CCCN1c1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.61
CNR2 P34972 3/20 0.61
HIF1A Q16665 1/20 0.48
EPAS1 Q99814 1/20 0.48
TRPV1 Q8NER1 4/20 0.43
PTGS1 P23219 1/20 0.43
GAA P10253 1/20 0.41
DEGS1 O15121 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
FPR1 P21462 1/20 0.40
FPR2 P25090 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL9892086 0.85 CNR1 (0.75) CNR1CNR2HIF1AEPAS1TRPV1
SCHEMBL9892076 0.76 CNR2 (1.00) CNR1CNR2
SCHEMBL2568863 0.76 CNR2 (1.00) CNR1CNR2NPC1HTTMAPT
SCHEMBL9892084 0.73 CNR2 (1.00) CNR1CNR2MAPT
SCHEMBL9103501 0.72 CNR1 (0.56) CNR1CNR2MEN1KMT2AMAPT
SCHEMBL9103491 0.72 CNR1 (0.56) CNR1CNR2MEN1KMT2AMAPT
SCHEMBL9893135 0.72 CNR2 (0.58) CNR1CNR2GAADEGS1FPR1
SCHEMBL1464996 0.72 MAPT (0.54) HIF1AEPAS1PTGS1GAANPC1
SCHEMBL2572244 0.71 CNR1 (0.53) CNR1CNR2MEN1HTTKMT2A
SCHEMBL2572245 0.71 CNR1 (0.53) CNR1CNR2MEN1HTTKMT2A

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 5 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
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 CNR1 2/4885CNR2 1/4885HIF1A 578/4885

“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.