SCHEMBL9891748

SCHEMBL9891748

CC(C)(C)C1CCC(=O)N1c1ccc(F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.38
CNR1 P21554 2/20 0.38
HDAC1 Q13547 6/20 0.37
HDAC8 Q9BY41 6/20 0.37
HDAC6 Q9UBN7 6/20 0.37
NOTUM Q6P988 1/20 0.37
SRD5A1 P18405 3/20 0.36
PER2 O15055 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HDAC5 Q9UQL6 2/20 0.36
HTR7 P34969 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL9891750 0.86 NOTUM (0.50) HDAC1HDAC8HDAC6NOTUMSRD5A1
SCHEMBL16480402 0.81 PARP1 (0.46) NOTUMSRD5A1PER2ALDH1A1
SCHEMBL9891746 0.79 CNR2 (0.45) CNR2ALDH1A1HTR7MAPT
SCHEMBL9893128 0.77 PER2 (0.48) NOTUMSRD5A1PER2ALDH1A1HTR7
SCHEMBL24717003 0.75 HDAC1 (0.40) CNR2HDAC1HDAC8HDAC6HDAC5
SCHEMBL9108982 0.74 P2RX7 (0.43) CNR2CNR1HDAC1HDAC8HDAC6
SCHEMBL9108987 0.74 P2RX7 (0.43) CNR2CNR1HDAC1HDAC8HDAC6
SCHEMBL9891736 0.69 ALDH1A1 (0.41) HDAC1HDAC8HDAC6NOTUMSRD5A1
SCHEMBL9891747 0.68 CNR2 (0.47) CNR2CNR1HDAC1HDAC8HDAC6
SCHEMBL4748903 0.67 MAPK1 (0.54) NOTUMALDH1A1L3MBTL1

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
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 CNR2 1/4885CNR1 2/4885HDAC1 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.