SCHEMBL2572245

SCHEMBL2572245

CC1(C(=O)O)CCCN1c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.53
CNR2 P34972 2/20 0.53
MAPK1 P28482 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
EPHX2 P34913 1/20 0.40
MMP14 P50281 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
FFAR1 O14842 1/20 0.39
HSD11B1 P28845 4/20 0.39
AKR1C3 P42330 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CCR2 P41597 1/20 0.38
HDAC1 Q13547 3/20 0.38

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
SCHEMBL2572244 1.00 CNR1 (0.53) CNR1CNR2MAPK1MEN1KMT2A
SCHEMBL15059997 0.85 FFAR1 (0.44) CNR1CNR2MAPK1MEN1KMT2A
SCHEMBL15060430 0.81 MEN1 (0.41) MAPK1MEN1KMT2AFFAR1HSD11B1
SCHEMBL7737423 0.81 MAPT (0.46) MAPK1MEN1KMT2AAKR1C3ALDH1A1
SCHEMBL9103501 0.81 CNR1 (0.56) CNR1CNR2MEN1KMT2AFFAR1
SCHEMBL9103491 0.81 CNR1 (0.56) CNR1CNR2MEN1KMT2AFFAR1
SCHEMBL16480421 0.76 CNR1 (0.41) CNR1CNR2MEN1KMT2ADRD2
Formaldehyde SCHEMBL27712164 0.74 CNR1 (0.33) CNR1CNR2FFAR1
SCHEMBL18580370 0.73 FFAR1 (0.42) CNR1CNR2MAPK1MEN1KMT2A
SCHEMBL3711951 0.73 HSD11B1 (0.44) DRD2DRD4HSD11B1AKR1C3ALDH1A1

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 4 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
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 CNR1 2/4885CNR2 1/4885MAPK1 1463/4885

“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.