SCHEMBL2568950

SCHEMBL2568950

CC(C)(C)OC(=O)C1CCC(=O)N1c1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.50
LMNA P02545 3/20 0.48
HDAC1 Q13547 4/20 0.47
HDAC8 Q9BY41 4/20 0.47
HDAC6 Q9UBN7 4/20 0.47
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HDAC5 Q9UQL6 1/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 3/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 2/20 0.43

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
SCHEMBL2568946 1.00 SMN1; SMN2 (0.50) SMN1; SMN2LMNAHDAC1HDAC8HDAC6
SCHEMBL2568372 0.85 NPC1 (0.51) SMN1; SMN2LMNATDP1MEN1KMT2A
SCHEMBL2568370 0.85 NPC1 (0.51) SMN1; SMN2LMNATDP1MEN1KMT2A
SCHEMBL13285316 0.84 SMN1; SMN2 (0.50) SMN1; SMN2LMNATDP1MEN1KMT2A
SCHEMBL9893015 0.79 TDP1 (0.50) SMN1; SMN2LMNATDP1MEN1KMT2A
SCHEMBL16692964 0.78 HDAC6 (0.51) HDAC1HDAC8HDAC6HDAC5CNR1
SCHEMBL28693724 0.78 HDAC6 (0.51) HDAC1HDAC8HDAC6HDAC5CNR1
SCHEMBL9892006 0.77 CNR2 (0.72) CNR1CNR2CYP2C9CYP2C19
SCHEMBL9891732 0.77 SMN1; SMN2 (0.48) SMN1; SMN2LMNATDP1MEN1KMT2A
SCHEMBL31092020 0.74 POLQ (0.59) HDAC1HDAC8HDAC6HDAC5CNR1

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
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
EP-2384320-A2 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2011-11-09 EP 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 SMN1; SMN2 4659/4885LMNA 4696/4885HDAC1 1767/4885

“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.