SCHEMBL2108519

SCHEMBL2108519

Fc1cc(F)cc(CN2CCCC2)c1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
HTT P42858 1/20 0.55
HRH3 Q9Y5N1 2/20 0.54
KDM4E B2RXH2 5/20 0.48
HRH4 Q9H3N8 1/20 0.48
SLC6A3 Q01959 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAP4K4 O95819 1/20 0.46
PRMT6 Q96LA8 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL30340989 0.98 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2HTTHRH3KDM4E
SCHEMBL17896855 0.86 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2HTTHRH3KDM4E
SCHEMBL15587428 0.86 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2HTTHRH3KDM4E
SCHEMBL1936493 0.86 PRMT6 (0.61) ALDH1A1SMN1; SMN2HTTHRH3KDM4E
SCHEMBL10315541 0.85 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2HTTHRH3KDM4E
SCHEMBL17096000 0.85 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2HTTHRH3KDM4E
SCHEMBL8806332 0.83 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL17896312 0.82 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HTTHRH3KDM4E
SCHEMBL2238993 0.82 NCF1 (0.62) ALDH1A1SMN1; SMN2HTTHRH3KDM4E
SCHEMBL28588829 0.81 MEN1 (0.69) ALDH1A1SMN1; SMN2KDM4ETDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951660-B1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2013-12-11 EP disclosed
US-8389743-B2 Histamine-3 receptor antagonists PFIZER INC. (US) 2013-03-05 US disclosed
US-20120220568-A1 Histamine-3 Receptor Antagonists PFIZER INC. 2012-08-30 US disclosed
US-8158673-B2 Cis-3-(3-fluoro-4-pyrrolidin-1-ylmethyl-phenyl)-cyclobutanecaboxylic acid dimethylamide; for treatment of disorders or conditions that may be treated by antagonizing histamine-3 (H3) receptors; Alzheimer disease, mood and cognitive disorders, attention deficit hyperactive disorder, schizophrenia PFIZER INC. (US) 2012-04-17 US disclosed
EP-1951660-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2008-08-06 EP disclosed
US-20080096955-A1 Cis-3-(3-fluoro-4-pyrrolidin-1-ylmethyl-phenyl)-cyclobutanecaboxylic acid dimethylamide; for treatment of disorders or conditions that may be treated by antagonizing histamine-3 (H3) receptors; Alzheimer disease, mood and cognitive disorders, attention deficit hyperactive disorder, schizophrenia PFIZER INC 2008-04-24 US disclosed
WO-2007049123-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2007-05-03 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 (2 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-20080096955-A1 Cis-3-(3-fluoro-4-pyrrolidin-1-ylmethyl-phenyl)-cyclobutanecaboxylic acid dimethylamide; for treatment of disorders or conditions that may be treated by antagonizing histamine-3 (H3) receptors; Alzheimer disease, mood and cognitive disorders, attention deficit hyperactive disorder, schizophrenia HRH3, HRH4, HRH2 ALDH1A1 1257/4885SMN1; SMN2 1300/4885HTT 129/4885
US-20120220568-A1 Histamine-3 Receptor Antagonists HRH3, HRH4, HRH1 ALDH1A1 1965/4885SMN1; SMN2 1813/4885HTT 202/4885

“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.