SCHEMBL9891782

SCHEMBL9891782

CC(C)C1CCC(=O)N1c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 6/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 2/20 0.42
THRB P10828 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
HTT P42858 1/20 0.41
IDH1 O75874 4/20 0.41
EP300 Q09472 1/20 0.40
KAT2B Q92831 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
CRBN Q96SW2 1/20 0.39
GRM7 Q14831 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 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
SCHEMBL16480456 0.80 CD274 (0.45) KDM4EHSD17B10ALDH1A1SMN1; SMN2MAPT
SCHEMBL9891784 0.78 NPC1 (0.42) SMN1; SMN2IDH1HRH3
SCHEMBL9891779 0.77 HRH3 (0.42) IDH1HRH3
SCHEMBL9891778 0.77 GAA (0.42) KDM4EALDH1A1SMN1; SMN2MAPTIDH1
SCHEMBL24434658 0.76 SRD5A1 (0.39) ALDH1A1
SCHEMBL9891785 0.75 HRH3 (0.44) KDM4EALDH1A1MAPTIDH1HRH3
SCHEMBL9891783 0.74 CNR1 (0.51) KDM4EALDH1A1SMN1; SMN2MAPTTDP1
SCHEMBL9891781 0.74 CNR1 (0.50) KDM4EALDH1A1IDH1L3MBTL1
SCHEMBL9109221 0.73 KDM4E (0.49) KDM4EHSD17B10ALDH1A1SMN1; SMN2MAPT
SCHEMBL9109233 0.73 KDM4E (0.49) KDM4EHSD17B10ALDH1A1SMN1; SMN2MAPT

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 2 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

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 KDM4E 2527/4885HSD17B10 3541/4885ALDH1A1 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.