SCHEMBL9891957

SCHEMBL9891957

Cc1sc(NC(=O)[C@@H]2CCC(=O)N2c2ccc(Cl)cc2)nc1-c1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.59
CNR2 P34972 5/20 0.57
ALDH1A1 P00352 4/20 0.51
HTT P42858 2/20 0.51
PKM P14618 1/20 0.50
KDM4E B2RXH2 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
HDAC6 Q9UBN7 4/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
CFTR P13569 2/20 0.43
ACHE P22303 2/20 0.42

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
SCHEMBL9891940 0.75 CNR2 (0.58) KMT2ACNR2ALDH1A1HTTKDM4E
SCHEMBL9108690 0.75 MAPT (0.63) KMT2ACNR2ALDH1A1HTTKDM4E
SCHEMBL9891951 0.75 CNR2 (0.60) KMT2ACNR2ALDH1A1HTTKDM4E
SCHEMBL16542486 0.73 CNR2 (0.56) KMT2ACNR2MEN1LMNAHDAC6
SCHEMBL9891934 0.73 CNR2 (1.00) KMT2ACNR2ALDH1A1NPSR1MEN1
SCHEMBL9892191 0.72 CNR2 (0.55) KMT2ACNR2RXFP1MEN1LMNA
SCHEMBL9892007 0.72 ADORA3 (0.58) KMT2ACNR2HTTRXFP1MEN1
SCHEMBL9891933 0.70 CNR2 (0.61) CNR2ALDH1A1KDM4ELMNA
SCHEMBL9893016 0.70 ALDH1A1 (0.75) KMT2AALDH1A1HTTPKMKDM4E
SCHEMBL1914959 0.70 ALDH1A1 (0.60) KMT2AALDH1A1HTTKDM4ENPSR1

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-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

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 KMT2A 3551/4885CNR2 1/4885ALDH1A1 3279/4885

“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.