SCHEMBL2105339

SCHEMBL2105339

O=C(c1cc(F)c(Br)cc1Cl)N1CCCC1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.74
TSHR P16473 3/20 0.59
MAPT P10636 1/20 0.59
SMN1; SMN2 Q16637 4/20 0.55
USP2 O75604 1/20 0.53
POLB P06746 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA9 Q16790 2/20 0.51
HSP90AA1 P07900 2/20 0.50
GAA P10253 1/20 0.49
LMNA P02545 2/20 0.48
ALDH1A1 P00352 1/20 0.48
NPSR1 Q6W5P4 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
SCHEMBL4194748 0.87 HPGD (0.97) HPGDTSHRMAPTSMN1; SMN2USP2
SCHEMBL30630165 0.81 HPGD (0.56) HPGDTSHRMAPTSMN1; SMN2USP2
SCHEMBL24747198 0.81 HPGD (0.56) HPGDTSHRMAPTSMN1; SMN2USP2
SCHEMBL4784836 0.81 HPGD (0.85) HPGDTSHRMAPTSMN1; SMN2USP2
SCHEMBL30630172 0.77 MEN1 (0.64) HPGDTSHRSMN1; SMN2POLBMEN1
SCHEMBL24747200 0.77 MEN1 (0.64) HPGDTSHRSMN1; SMN2POLBMEN1
SCHEMBL24746180 0.77 HPGD (0.51) HPGDTSHRSMN1; SMN2USP2MEN1
SCHEMBL2365790 0.76 LMNA (0.65) HPGDTSHRMAPTSMN1; SMN2USP2
SCHEMBL2366147 0.75 ABL1 (0.47) HPGDTSHRMAPTSMN1; SMN2MEN1
SCHEMBL2109571 0.74 KEAP1 (0.48) HPGDTSHRMAPTSMN1; SMN2POLB

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 HPGD 1073/4885TSHR 862/4885MAPT 196/4885
US-20120220568-A1 Histamine-3 Receptor Antagonists HRH3, HRH4, HRH1 HPGD 2324/4885TSHR 166/4885MAPT 479/4885

“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.