SCHEMBL9891785

SCHEMBL9891785

COc1ccc(N2C(=O)CCC2C(C)C)nc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.44
IDH1 O75874 6/20 0.39
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SRD5A1 P18405 2/20 0.36
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LCAT P04180 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL16480490 0.83 HRH3 (0.40) HRH3IDH1KDM4EALDH1A1L3MBTL1
SCHEMBL9891784 0.82 NPC1 (0.42) HRH3IDH1
SCHEMBL9891779 0.81 HRH3 (0.42) HRH3IDH1
SCHEMBL9891778 0.81 GAA (0.42) IDH1KDM4EALDH1A1SRD5A1MAPT
SCHEMBL9891754 0.79 POLB (0.50) ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL9108258 0.78 IDH1 (0.43) HRH3IDH1KDM4EALDH1A1L3MBTL1
SCHEMBL9891783 0.78 CNR1 (0.51) HRH3IDH1KDM4EALDH1A1L3MBTL1
SCHEMBL9891781 0.78 CNR1 (0.50) IDH1KDM4EALDH1A1L3MBTL1
SCHEMBL9108249 0.78 IDH1 (0.43) HRH3IDH1KDM4EALDH1A1L3MBTL1
SCHEMBL9891782 0.75 KDM4E (0.46) HRH3IDH1KDM4EALDH1A1L3MBTL1

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 HRH3 236/4885IDH1 4245/4885KDM4E 2527/4885

“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.