SCHEMBL2106701

SCHEMBL2106701

Fc1cc(Br)cc(F)c1CN1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
CHKA P35790 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
PDE2A O00408 1/20 0.43
TSHR P16473 2/20 0.42
GFER P55789 1/20 0.42
HRH3 Q9Y5N1 1/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.38
FPR3 P25089 1/20 0.37
FPR2 P25090 1/20 0.37

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
SCHEMBL1427472 0.98 ALDH1A1 (0.49) ALDH1A1HTTKDM4ESMN1; SMN2TDP1
SCHEMBL2800744 0.83 CYP2A13 (0.51) ALDH1A1HTTKDM4EKMT2AMEN1
SCHEMBL3397376 0.83 GFER (0.51) ALDH1A1KDM4ECHKAKMT2AMEN1
SCHEMBL4289837 0.83 CHKA (0.55) ALDH1A1KDM4ETDP1CHKAMAPT
SCHEMBL4048591 0.83 KDM4E (0.55) ALDH1A1KDM4ETDP1KMT2AMEN1
SCHEMBL2574046 0.80 KMT2A (0.42) ALDH1A1KDM4ECHKAKMT2AMEN1
SCHEMBL3375026 0.80 ALDH1A1 (0.46) ALDH1A1HTTKDM4ESMN1; SMN2CHKA
SCHEMBL4287610 0.79 KDM4E (0.39) ALDH1A1KDM4ETDP1CHKAPDE2A
SCHEMBL4293427 0.79 MBTD1 (0.41) ALDH1A1KDM4ECHKAPDE2ATSHR
SCHEMBL4296929 0.78 L3MBTL1 (0.51) ALDH1A1KDM4ETDP1KMT2AMEN1

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 1257/4885HTT 129/4885KDM4E 3423/4885
US-20120220568-A1 Histamine-3 Receptor Antagonists HRH3, HRH4, HRH1 ALDH1A1 1965/4885HTT 202/4885KDM4E 3022/4885

“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.