SCHEMBL9893017

SCHEMBL9893017

CCC1CCC(=O)N1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
CRHBP P24387 1/20 0.43
GFER P55789 1/20 0.43
CRHR2 Q13324 1/20 0.43
MAPT P10636 4/20 0.42
LMNA P02545 3/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SIRT6 Q8N6T7 1/20 0.41
PARL Q9H300 1/20 0.40

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
SCHEMBL5652576 0.86 KMT2A (0.45) KMT2AMEN1CRHBPGFERCRHR2
SCHEMBL5650754 0.86 KMT2A (0.45) KMT2AMEN1CRHBPGFERCRHR2
SCHEMBL27959334 0.81 SIRT6 (0.50) KMT2AMEN1LMNAALDH1A1SIRT6
SCHEMBL27959335 0.81 SIRT6 (0.50) KMT2AMEN1LMNAALDH1A1SIRT6
SCHEMBL30912424 0.81 KMT2A (0.46) KMT2AMEN1CRHBPGFERCRHR2
SCHEMBL30912496 0.81 KMT2A (0.46) KMT2AMEN1CRHBPGFERCRHR2
SCHEMBL9893023 0.79 PER2 (0.46) KMT2AMEN1ALDH1A1
SCHEMBL9893157 0.79 PTGER2 (0.42)
SCHEMBL9892975 0.79 PTGER2 (0.44) KMT2AMEN1SMN1; SMN2
SCHEMBL9892982 0.78 PTGS2 (0.44)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3551/4885MEN1 4874/4885GSK3A 3463/4885

“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.