SCHEMBL3377162

SCHEMBL3377162

CNC[C@H]1C[C@H](Oc2cccc(CN3CCCC3)c2F)C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
CXCR4 P61073 3/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
GRIN1 Q05586 4/20 0.36
GRIN2B Q13224 4/20 0.36
PDE2A O00408 1/20 0.35
KDM4E B2RXH2 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.35
PDE4B Q07343 1/20 0.34

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
SCHEMBL3375004 1.00 ALDH1A1 (0.39) ALDH1A1CXCR4KMT2AMEN1GRIN1
SCHEMBL4643805 0.89 CXCR4 (0.39) ALDH1A1CXCR4KMT2AMEN1GRIN1
SCHEMBL3381143 0.86 KDM4E (0.46) ALDH1A1CXCR4KMT2AMEN1KDM4E
SCHEMBL3378843 0.86 KDM4E (0.46) ALDH1A1CXCR4KMT2AMEN1KDM4E
SCHEMBL3378811 0.85 ALDH1A1 (0.36) ALDH1A1CXCR4KMT2AMEN1GRIN1
SCHEMBL3377530 0.85 KDM4E (0.46) ALDH1A1CXCR4KMT2AMEN1KDM4E
SCHEMBL3377166 0.82 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1GRIN1GRIN2B
SCHEMBL3377782 0.81 MEN1 (0.46) ALDH1A1KMT2AMEN1GRIN1GRIN2B
SCHEMBL3377784 0.81 MEN1 (0.46) ALDH1A1KMT2AMEN1GRIN1GRIN2B
SCHEMBL4643810 0.81 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1GRIN1GRIN2B

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 5 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
EP-1899296-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2008-03-19 EP disclosed
WO-2006136924-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2006-12-28 WO 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 ALDH1A1 923/4885CXCR4 397/4885KMT2A 1261/4885

“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.