SCHEMBL4090180

SCHEMBL4090180

O=C1CCC(Cc2ccc(OCCCCl)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.49
POLB P06746 2/20 0.47
KMT2A Q03164 2/20 0.47
LTA4H P09960 1/20 0.47
GAA P10253 1/20 0.44
TMEM97 Q5BJF2 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
HTT P42858 1/20 0.42
KDM4A O75164 1/20 0.40
USP2 O75604 1/20 0.40
ALOX15 P16050 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CTSK P43235 1/20 0.40
GLA P06280 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL4083826 0.81 HRH3 (0.79) HRH3LTA4HTMEM97SIGMAR1
SCHEMBL4083651 0.79 HRH3 (0.64) HRH3
SCHEMBL7368042 0.79 CYP26A1 (0.49) KMT2AGLAMEN1
SCHEMBL6785682 0.76 ALDH1A1 (0.50) KMT2AALOX15MEN1SLC6A2SLC6A4
SCHEMBL4358923 0.74 GLA (0.45) POLBKMT2AGAAGLAMEN1
SCHEMBL4089677 0.74 GPR119 (0.49) HRH3POLBKMT2ALTA4HTMEM97
SCHEMBL4364820 0.73 ESR2 (0.53)
SCHEMBL8008639 0.73 OPRM1 (0.42) L3MBTL1KDM4E
SCHEMBL5846563 0.73 EPHX2 (0.42) ALOX15
SCHEMBL5675291 0.72 GBA1 (0.57) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874746-B1 DERIVATIVES OF 1-N-AZACYCLOALKYL-3-PHENOXYPROPANE USEFUL FOR THE PREPARATION OF PSYCHOTROPIC MEDICAMENTS BIOPROJET SOC CIV (FR) 2015-11-18 EP disclosed
US-8076329-B2 Histamine H3-receptor ligands and their therapeutic applications BIOPROJET (FR) 2011-12-13 US disclosed
US-20090111808-A1 NOVEL HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS BIOPROJET (FR) 2009-04-30 US disclosed
EP-1874746-A2 NOVEL HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS BIOPROJET (FR) 2008-01-09 EP disclosed
WO-2006117609-A2 PHENOXYPROPYLPIPERIDINES AND -PYRROLIDINES AND THEIR USE AS HISTAMINE H3 -RECEPTOR LIGANDS BIOPROJET (FR) 2006-11-09 WO disclosed
EP-1717235-A2 Phenoxypropylpiperidines and -pyrrolidines and their use as histamine H3-receptor ligands BIOPROJET (FR) 2006-11-02 EP 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-20090111808-A1 NOVEL HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS HRH3, HRH4, HRH1 HRH3 1/4885POLB 4416/4885KMT2A 424/4885

“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.