SCHEMBL9104076

SCHEMBL9104076

CC(C)(C)OC(=O)C1CCCN1c1ccc(C(F)(F)F)c(F)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
ATR Q13535 1/20 0.39
ATRIP Q8WXE1 1/20 0.39
NTRK1 P04629 2/20 0.38
JAK2 O60674 1/20 0.38
CASP3 P42574 1/20 0.38
CNR2 P34972 3/20 0.38
CNR1 P21554 2/20 0.38
ITGB2 P05107 1/20 0.37
ICAM1 P05362 1/20 0.37
ITGAL P20701 1/20 0.37
FPR2 P25090 2/20 0.37
SCN9A Q15858 2/20 0.37
AADAT Q8N5Z0 1/20 0.37
HDAC1 Q13547 3/20 0.36
HDAC8 Q9BY41 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36
HDAC5 Q9UQL6 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL9104066 1.00 MCHR1 (0.41) MCHR1TRPV1ATRATRIPNTRK1
SCHEMBL9892321 0.79 HDAC6 (0.52) CNR2CNR1HDAC1HDAC8HDAC6
SCHEMBL26364511 0.76 FPR2 (0.43) MCHR1TRPV1ATRATRIPCASP3
SCHEMBL29379524 0.75 ATR (0.37) TRPV1ATRATRIPCASP3FPR2
SCHEMBL29382014 0.75 ATR (0.37) TRPV1ATRATRIPCASP3FPR2
SCHEMBL4827644 0.74 CNR2 (0.53) MCHR1CASP3CNR2CNR1FPR2
SCHEMBL4827642 0.74 CNR2 (0.53) MCHR1CASP3CNR2CNR1FPR2
SCHEMBL9108974 0.74 CNR2 (0.41) ATRATRIPCASP3CNR2CNR1
SCHEMBL15205978 0.74 CNR2 (0.43) ATRATRIPCASP3CNR2CNR1
SCHEMBL9108980 0.74 CNR2 (0.41) ATRATRIPCASP3CNR2CNR1

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 MCHR1 293/4885TRPV1 4/4885ATR 4546/4885

“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.