SCHEMBL9891765

SCHEMBL9891765

C=Cc1ccc(N2C(=O)CCC2C(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.35
ALDH1A1 P00352 1/20 0.32
PTGER2 P43116 2/20 0.31
KMT2A Q03164 1/20 0.31
PTGER3 P43115 1/20 0.30

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
SCHEMBL9891751 0.81 GAA (0.42) KMT2A
SCHEMBL9891731 0.80 CNR2 (0.42) ALDH1A1KMT2A
SCHEMBL9893046 0.80 CCNA2 (0.38) ALDH1A1PTGER2KMT2APTGER3
SCHEMBL9891753 0.80 L3MBTL1 (0.47) PTGER2KMT2A
SCHEMBL24434658 0.80 SRD5A1 (0.39) ALDH1A1KMT2A
SCHEMBL9891771 0.78 L3MBTL1 (0.36) ALDH1A1PTGER2
SCHEMBL9891752 0.78 ALDH1A1 (0.40) ALDH1A1PTGER2KMT2A
SCHEMBL9891754 0.78 POLB (0.50) ALDH1A1KMT2A
SCHEMBL9891776 0.77 PTGER2 (0.35) PTGER2PTGER3
SCHEMBL9891777 0.77 IDH1 (0.39) PTGER2PTGER3

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 CACNA1B 1043/4885ALDH1A1 3279/4885PTGER2 186/4885

“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.