SCHEMBL4100011

SCHEMBL4100011

Oc1ccccc1CCCCl

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.56
MPO P05164 6/20 0.55
SLC6A4 P31645 2/20 0.55
HSPA5 P11021 1/20 0.52
MGLL Q99685 1/20 0.50
TSHR P16473 2/20 0.46
CYP2D6 P10635 1/20 0.46
HIF1A Q16665 1/20 0.46
HTR1A P08908 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
CA12 O43570 4/20 0.45
CA2 P00918 4/20 0.45
CA9 Q16790 4/20 0.45
KDM4E B2RXH2 1/20 0.45
HSD17B10 Q99714 1/20 0.45
AKR1B1 P15121 1/20 0.45

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
SCHEMBL11208340 0.93 TAAR1 (0.54) TAAR1MPOSLC6A4HSPA5MGLL
SCHEMBL29127699 0.91 MGLL (0.56) TAAR1MPOSLC6A4HSPA5MGLL
SCHEMBL30695738 0.91 MGLL (0.56) TAAR1MPOSLC6A4HSPA5MGLL
SCHEMBL30081968 0.91 MGLL (0.56) TAAR1MPOSLC6A4HSPA5MGLL
SCHEMBL30081969 0.91 MGLL (0.56) TAAR1MPOSLC6A4HSPA5MGLL
SCHEMBL6944890 0.86 TAAR1 (0.60) TAAR1MPOSLC6A4HSPA5MGLL
SCHEMBL4967651 0.85 TAAR1 (0.65) TAAR1MPOSLC6A4HSPA5MGLL
SCHEMBL3800530 0.85 TAAR1 (0.65) TAAR1MPOSLC6A4HSPA5MGLL
SCHEMBL8401990 0.83 MGLL (0.66) TAAR1MPOSLC6A4HSPA5MGLL
SCHEMBL10438887 0.83 TAAR1 (0.62) TAAR1MPOSLC6A4HSPA5MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105987971-B Separation and determination method of dapoxetine hydrochloride intermediate SM1 and related impurities 重庆华邦制药有限公司 2020-07-14 CN disclosed
CN-108430979-A Double triazole compounds with antibiont film and anti-corrosion performance 土伦·瓦尔大学 2018-08-21 CN disclosed
CN-105505525-A Phenolic amine antioxidant and preparation method and application thereof NINGBO INST MAT TECH & ENG CAS 2016-04-20 CN disclosed
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
CN-101258138-B Phenoxypropylpiperidines and -pyrrolidines and their use as histamine h3-receptor ligands BIOPROJET SOC CIV 2013-06-12 CN 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
CN-101258138-A Phenoxypropylpiperidines and -pyrrolidines and their use as histamine h3-receptor ligands BIOPROJET SOC CIV (FR) 2008-09-03 CN 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
EP-1717234-A1 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 TAAR1 37/4885MPO 2746/4885SLC6A4 841/4885

“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.