SCHEMBL3377790

SCHEMBL3377790

O=C(O)NCCC1CC(Oc2cccc(CN3CCCC3)c2F)C1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CHRM4 P08173 11/20 0.40
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
CCR3 P51677 1/20 0.36

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
SCHEMBL3377166 0.82 ALDH1A1 (0.43) MEN1KMT2AGRIN1GRIN2B
SCHEMBL3378815 0.81 MEN1 (0.41) MEN1KMT2AGRIN1GRIN2B
SCHEMBL4643810 0.80 ALDH1A1 (0.41) MEN1KMT2AGRIN1GRIN2B
SCHEMBL3377782 0.80 MEN1 (0.46) MEN1KMT2AGRIN1GRIN2BBCHE
SCHEMBL3377784 0.80 MEN1 (0.46) MEN1KMT2AGRIN1GRIN2BBCHE
SCHEMBL4643805 0.79 CXCR4 (0.39) MEN1KMT2AGRIN1GRIN2B
SCHEMBL3375004 0.78 ALDH1A1 (0.39) MEN1KMT2AGRIN1GRIN2B
SCHEMBL3377162 0.78 ALDH1A1 (0.39) MEN1KMT2AGRIN1GRIN2B
SCHEMBL3442154 0.78 HRH3 (0.36) CHRM4ACHECCR3
SCHEMBL3378811 0.78 ALDH1A1 (0.36) MEN1KMT2AGRIN1GRIN2B

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
EP-1899296-B1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2010-11-17 EP disclosed
US-7812040-B2 such as 3-(3-Acetyl-phenyl)-1-[3-(3-chloro-4-pyrrolidin-1-ylmethyl-phenoxy)-cyclobutylmethyl]-1-methyl-urea, used for the treatment of , schizophrenia, Alzheimer's disease, attention-deficit hyperactivity disorder, hypotension, allergies, cardiovascular, gastrointestinal and psychological disorders PFIZER INC. (US) 2010-10-12 US disclosed
US-20090131433-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER INC. (US) 2009-05-21 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-20090131433-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS HRH3, HRH4, HRH2 MEN1 2959/4885KMT2A 1261/4885CHRM4 249/4885

“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.