SCHEMBL2107499

SCHEMBL2107499

Clc1cccc(CN2CCCC2)c1Cl

nearest known ligand 0.96

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.96
KDM4E B2RXH2 3/20 0.96
POLB P06746 1/20 0.96
CYP2A13 Q16696 5/20 0.72
CXCR4 P61073 1/20 0.55
SIGMAR1 Q99720 1/20 0.53
PLA2G1B P04054 1/20 0.50
RAB9A P51151 1/20 0.50
ATG4B Q9Y4P1 1/20 0.50
PNMT P11086 1/20 0.50
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
HTT P42858 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL29941203 0.98 ALDH1A1 (1.00) ALDH1A1KDM4EPOLBCYP2A13CXCR4
SCHEMBL2092567 0.85 KDM4E (0.71) ALDH1A1KDM4EPOLBCYP2A13CXCR4
SCHEMBL17962428 0.85 KDM4E (0.72) ALDH1A1KDM4EPOLBCYP2A13CXCR4
SCHEMBL9417737 0.84 SIGMAR1 (0.72) ALDH1A1KDM4EPOLBCYP2A13CXCR4
SCHEMBL3968896 0.84 KDM4E (0.70) ALDH1A1KDM4EPOLBCYP2A13CXCR4
SCHEMBL18753626 0.84 KDM4E (0.70) ALDH1A1KDM4EPOLBCYP2A13CXCR4
SCHEMBL2094238 0.84 KDM4E (0.70) ALDH1A1KDM4EPOLBCYP2A13CXCR4
SCHEMBL4105461 0.84 CYP2A13 (1.00) ALDH1A1KDM4EPOLBCYP2A13CXCR4
Hydrochloric Acid SCHEMBL11467058 0.82 SIGMAR1 (0.70) ALDH1A1KDM4EPOLBCYP2A13CXCR4
SCHEMBL3210628 0.82 ALDH1A1 (0.73) ALDH1A1KDM4EPOLBCYP2A13CXCR4

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 1257/4885KDM4E 3423/4885POLB 1544/4885
US-20120220568-A1 Histamine-3 Receptor Antagonists HRH3, HRH4, HRH1 ALDH1A1 1965/4885KDM4E 3022/4885POLB 2805/4885

“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.