SCHEMBL3377217

SCHEMBL3377217

CNC[C@H]1C[C@H](Oc2ccc(Cl)c(CN3CCCC3)c2Cl)C1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.37
CXCR4 P61073 1/20 0.35
RORC P51449 4/20 0.35
POLB P06746 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
RBP4 P02753 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TLR9 Q9NR96 1/20 0.33
NPY1R P25929 1/20 0.32
HRH3 Q9Y5N1 4/20 0.32
TP53 P04637 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL3377214 1.00 NCF1 (0.37) NCF1CXCR4RORCPOLBSMN1; SMN2
SCHEMBL3379518 0.87 CXCR4 (0.41) NCF1CXCR4POLBSMN1; SMN2L3MBTL1
SCHEMBL3377529 0.85 RORC (0.33) CXCR4RORCPOLBSMN1; SMN2L3MBTL1
SCHEMBL3377222 0.83 POLB (0.35) CXCR4RORCPOLBSMN1; SMN2KDM4E
SCHEMBL3378843 0.82 KDM4E (0.46) NCF1CXCR4POLBKDM4EALDH1A1
SCHEMBL3381143 0.82 KDM4E (0.46) NCF1CXCR4POLBKDM4EALDH1A1
SCHEMBL3380494 0.82 RORC (0.38) RORCPOLBSMN1; SMN2L3MBTL1KDM4E
SCHEMBL3380491 0.82 RORC (0.38) RORCPOLBSMN1; SMN2L3MBTL1KDM4E
SCHEMBL3442332 0.80 HRH3 (0.45) RORCSMN1; SMN2L3MBTL1KDM4EALDH1A1
SCHEMBL3442329 0.80 HRH3 (0.45) RORCSMN1; SMN2L3MBTL1KDM4EALDH1A1

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 NCF1 3992/4885CXCR4 397/4885RORC 438/4885

“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.