SCHEMBL4896022

SCHEMBL4896022

CCCCn1cc(C(=O)CC)c2ccc(C(=O)O)cc21

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.51
CNR2 P34972 13/20 0.50
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
HCAR3 P49019 1/20 0.44

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
SCHEMBL3349339 0.88 CNR2 (0.49) CNR1CNR2KMT2AHCAR3
SCHEMBL29951395 0.88 CNR2 (0.49) CNR1CNR2KMT2AHCAR3
SCHEMBL3350909 0.84 KDM4E (0.46) CNR1CNR2HCAR3
SCHEMBL4899436 0.84 CNR2 (0.53) CNR1CNR2KMT2A
SCHEMBL1552793 0.78 PDE4A (0.62) CNR1CNR2HCAR3
Hydrochloric Acid SCHEMBL8605727 0.77 PDE4A (0.61) CNR1CNR2HCAR3
SCHEMBL27679944 0.76 SLC22A12 (0.50) KMT2AHCAR3
SCHEMBL2642659 0.76 CNR2 (0.51) CNR1CNR2
SCHEMBL11979708 0.76 CNR1 (0.81) CNR1CNR2KMT2A
SCHEMBL3350382 0.75 CNR1 (0.50) CNR1CNR2KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132552-A1 N-methyl hydroxyethylamine useful in treating CNS conditions PFIZER INC. 2008-06-05 US claimed
EP-1794114-A1 N-METHYL HYDROXYETHYLAMINE USEFUL IN TREATING CNS CONDITIONS Pfizer Products Incorporated (US) 2007-06-13 EP claimed
WO-2006032999-A1 N-METHYL HYDROXYETHYLAMINE USEFUL IN TREATING CNS CONDITIONS PFIZER PRODUCTS INC. (US) 2006-03-30 WO claimed
US-20080132552-A1 N-methyl hydroxyethylamine useful in treating CNS conditions PFIZER INC. 2008-06-05 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-20080132552-A1 N-methyl hydroxyethylamine useful in treating CNS conditions HNMT, PNMT, BHMT CNR1 256/4885CNR2 222/4885KMT2A 196/4885

“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.