SCHEMBL6583649

SCHEMBL6583649

O=CCCCc1ncc[nH]1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.53
TERT O14746 1/20 0.44
ALOX15 P16050 1/20 0.40
TAAR1 Q96RJ0 9/20 0.39
FDPS P14324 1/20 0.39
HTR1A P08908 1/20 0.38
HRH4 Q9H3N8 1/20 0.33
HIF1A Q16665 1/20 0.33
NAMPT P43490 1/20 0.33

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
SCHEMBL29956446 0.94 TBXAS1 (0.56) TBXAS1TERTALOX15TAAR1FDPS
SCHEMBL238669 0.93 TBXAS1 (0.58) TBXAS1TERTALOX15TAAR1FDPS
SCHEMBL301422 0.88
SCHEMBL3431746 0.81 TBXAS1 (0.66) TBXAS1TERTALOX15TAAR1FDPS
SCHEMBL9777191 0.81 TBXAS1 (0.60) TBXAS1TERTALOX15TAAR1FDPS
SCHEMBL27582835 0.81 TBXAS1 (0.49) TBXAS1TERTALOX15TAAR1FDPS
SCHEMBL288127 0.80 TBXAS1 (0.49) TBXAS1TERTALOX15TAAR1NAMPT
SCHEMBL503743 0.79 TBXAS1 (0.69) TBXAS1TERTALOX15TAAR1FDPS
SCHEMBL28062565 0.79 TBXAS1 (0.69) TBXAS1TERTALOX15TAAR1FDPS
SCHEMBL9112933 0.78 TBXAS1 (0.46) TBXAS1TERTALOX15TAAR1FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-8735599-B2 Substituted imidazole derivates NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2014-05-27 US disclosed
US-8735599-B2 Substituted imidazole derivates NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2014-05-27 US disclosed
WO-2013077989-A1 PROCESS FOR PREPARATION OF ALUMINUM SALT OF PHOSPHONIC ACID ESTER ICL-IP AMERICA INC. (US) 2013-05-30 WO disclosed
EP-1765789-B1 N-(1-(1-BENZYL-4-PHENYL-1H-IMIDAZOL-2-YL)-2,2-DIMETHYLPROPYL)BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS KINESIN SPINDLE PROTEIN (KSP) INHIBITORS FOR THE TREATMENT OF CANCER NOVARTIS AG (CH) 2013-02-27 EP disclosed
US-20130017196-A1 SUBSTITUTED IMIDAZOLE DERIVATIVES CHIRON CORPORATION 2013-01-17 US disclosed
US-20130017196-A1 SUBSTITUTED IMIDAZOLE DERIVATIVES CHIRON CORPORATION 2013-01-17 US disclosed
US-8318791-B2 Substituted imidazole derivatives NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-11-27 US disclosed
US-8318791-B2 Substituted imidazole derivatives NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-11-27 US disclosed
US-20090258016-A1 Substituted imidazole derivatives WANG WEIBO 2009-10-15 US disclosed
US-20090258016-A1 Substituted imidazole derivatives WANG WEIBO 2009-10-15 US disclosed
US-7576221-B2 N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-4-phenyl-1H-imidazol-2-yl)-2-methylpropyl]-4-methylbenzamide; kinesin-related proteins (KRP) inhibitors; anticarcinogenic agent NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-08-18 US disclosed
US-7576221-B2 N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-4-phenyl-1H-imidazol-2-yl)-2-methylpropyl]-4-methylbenzamide; kinesin-related proteins (KRP) inhibitors; anticarcinogenic agent NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-08-18 US disclosed
EP-1318996-B1 SUBSTITUTED IMIDAZOLES AS DUAL HISTAMINE H1 AND H3 AGONISTS OR ANTAGONISTS SCHERING CORP (US) 2004-12-01 EP disclosed
US-6762186-B2 USE TO TREAT ALLERGY, NASAL CONGESTION, INFLAMMATORY AND CENTRAL NERVOUS SYSTEM-RELATED DISEASES SCHERING CORPORATION 2004-07-13 US disclosed
CN-1461304-A Substituted imidazoles as dual histamine H1 and H3 agonists or antagonists SCHERING CORP (US) 2003-12-10 CN disclosed
EP-1318996-A2 SUBSTITUTED IMIDAZOLES AS DUAL HISTAMINE H1 AND H3 AGONISTS OR ANTAGONISTS Schering Corporation (US) 2003-06-18 EP disclosed
US-20020082278-A1 Substituted imidazoles as dual histamine H1 and H3 agonists or antagonists SCHERING CORPORATION 2002-06-27 US disclosed
WO-2002044141-A2 SUBSTITUTED IMIDAZOLES AS DUAL HISTAMINE H1 AND H3 AGONISTS OR ANTAGONISTS SCHERING CORPORATION (US) 2002-06-06 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 (3 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-20020082278-A1 Substituted imidazoles as dual histamine H1 and H3 agonists or antagonists HRH3, HRH4, HRH2 TBXAS1 2176/4885TERT 4612/4885ALOX15 3236/4885
US-20090258016-A1 Substituted imidazole derivatives ABCG2, CYP2C19, AADAC TBXAS1 900/4885TERT 3877/4885ALOX15 4559/4885
US-20130017196-A1 SUBSTITUTED IMIDAZOLE DERIVATIVES ABCG2, CYP2C19, AADAC TBXAS1 900/4885TERT 3877/4885ALOX15 4559/4885

“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.