SCHEMBL1754092

SCHEMBL1754092

CC(C)(C)CCc1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.50
KCNH2 Q12809 4/20 0.49
TMEM97 Q5BJF2 4/20 0.49
SIGMAR1 Q99720 4/20 0.49
AOC3 Q16853 1/20 0.47
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
MAOB P27338 1/20 0.43
S1PR1 P21453 1/20 0.43
HPGD P15428 1/20 0.43
IDO1 P14902 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42

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
SCHEMBL10245007 0.86 TAAR1 (0.47) TAAR1KCNH2TMEM97SIGMAR1AOC3
SCHEMBL10245015 0.85 TAAR1 (0.45) TAAR1KCNH2TMEM97SIGMAR1AOC3
SCHEMBL11540157 0.82 TAAR1 (0.47) TAAR1KCNH2TMEM97SIGMAR1AOC3
SCHEMBL7210260 0.82 TAAR1 (0.52) TAAR1KCNH2TMEM97SIGMAR1AOC3
SCHEMBL7210259 0.82 TAAR1 (0.47) TAAR1KCNH2TMEM97SIGMAR1AOC3
SCHEMBL19574973 0.80 TAAR1 (0.45) TAAR1KCNH2TMEM97SIGMAR1AOC3
SCHEMBL24143907 0.79 KCNH2 (0.44) TAAR1KCNH2TMEM97SIGMAR1AOC3
SCHEMBL19312085 0.79 S1PR1 (0.50) TAAR1KCNH2TMEM97SIGMAR1AOC3
SCHEMBL28100815 0.79 KCNH2 (0.48) TAAR1KCNH2TMEM97SIGMAR1AOC3
SCHEMBL21076151 0.78 CYP1A2 (0.52) TAAR1KCNH2HPGDIDO1

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 163 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399320-A1 NOVEL CAPSID ASSEMBLY INHIBITOR Pelemed Co., Ltd. (UA) 2023-12-14 US disclosed
US-11786541-B2 Inhibitor of sphingosine kinase 2 for treating Ebola REDHILL BIOPHARMA LTD. (IL) 2023-10-17 US disclosed
US-11786541-B2 Inhibitor of sphingosine kinase 2 for treating Ebola REDHILL BIOPHARMA LTD. (IL) 2023-10-17 US disclosed
US-11760715-B2 Modulators of lipoxygenase and cyclooxygenase enzyme activity UNIVERSITÉ DE MONCTON (CA) 2023-09-19 US disclosed
US-11760715-B2 Modulators of lipoxygenase and cyclooxygenase enzyme activity UNIVERSITÉ DE MONCTON (CA) 2023-09-19 US disclosed
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease SHY Therapeutics LLC 2023-09-14 US disclosed
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease SHY Therapeutics LLC 2023-09-14 US disclosed
US-20230277551-A1 ANTIBACTERIAL CHEMICAL COMPOUND, ITS MANUFACTURING METHOD AND ITS USE THEREOF NATIONAL YANG MING CHIAO TUNG UNIVERSITY (TW) 2023-09-07 US disclosed
US-20230277551-A1 ANTIBACTERIAL CHEMICAL COMPOUND, ITS MANUFACTURING METHOD AND ITS USE THEREOF NATIONAL YANG MING CHIAO TUNG UNIVERSITY (TW) 2023-09-07 US disclosed
US-RE49594-E1 Apelin receptor (APJ) agonists and uses thereof RESEARCH TRIANGLE INSTITUTE (US) 2023-08-01 US disclosed
US-20080132525-A1 isoforms DNMT1 and DNMT3b2; for example: 2-amino-4-(((2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(phenethylamino)-9H-purin-9-yl)-tetrahydrofuran-2-yl)methylthio)butanoic acid METHYLGENE INC. (CA) 2008-06-05 US disclosed
US-20080132525-A1 isoforms DNMT1 and DNMT3b2; for example: 2-amino-4-(((2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(phenethylamino)-9H-purin-9-yl)-tetrahydrofuran-2-yl)methylthio)butanoic acid METHYLGENE INC. (CA) 2008-06-05 US disclosed
US-20080058337-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-03-06 US disclosed
US-7338961-B2 Sphingosine kinase inhibitors APOGEE BIOTECHNOLOGY CORPORATION (US) 2008-03-04 US disclosed
US-7338961-B2 Sphingosine kinase inhibitors APOGEE BIOTECHNOLOGY CORPORATION (US) 2008-03-04 US disclosed
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2008-02-21 US disclosed
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2008-02-21 US disclosed
US-20080009512-A1 Tetrahydroquinolones and Aza-Analogues Thereof for Use as Dpp-IV Inhibitors in the Treatment of Diabetes ASTRAZENECA AB (SE) 2008-01-10 US disclosed
US-7291744-B2 N-ureidoalkyl-amino compounds as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-06 US disclosed
WO-2005123685-A1 TETRAHYDROQUINOLONES AND AZA-ANALOGUES THEREOF FOR USE AS DPP-IV INHIBITORS IN THE TREATEMENT OF DIABETES ASTRAZENECA AB (SE) 2005-12-29 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 (9 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-11760715-B2 Modulators of lipoxygenase and cyclooxygenase enzyme activity ALOX12, ALOX15B, ALOX5 TAAR1 1230/4885KCNH2 4508/4885TMEM97 2386/4885
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease MAPK6, MAP3K6, MAPK4 TAAR1 3699/4885KCNH2 4866/4885TMEM97 3414/4885
US-11786541-B2 Inhibitor of sphingosine kinase 2 for treating Ebola SPHK2, SPHK1, S1PR2 TAAR1 2980/4885KCNH2 3217/4885TMEM97 905/4885
US-20080009512-A1 Tetrahydroquinolones and Aza-Analogues Thereof for Use as Dpp-IV Inhibitors in the Treatment of Diabetes DPP4, DPP8, DPP3 TAAR1 1997/4885KCNH2 556/4885TMEM97 4365/4885
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same VIP, PROKR1, PGC TAAR1 4598/4885KCNH2 4177/4885TMEM97 3923/4885
US-20080132525-A1 isoforms DNMT1 and DNMT3b2; for example: 2-amino-4-(((2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(phenethylamino)-9H-purin-9-yl)-tetrahydrofuran-2-yl)methylthio)butanoic acid DNMT3B, DNMT1, DNMT3L TAAR1 3523/4885KCNH2 3691/4885TMEM97 4253/4885
US-20230277551-A1 ANTIBACTERIAL CHEMICAL COMPOUND, ITS MANUFACTURING METHOD AND ITS USE THEREOF VIP, MRPL21, GSDMD TAAR1 4474/4885KCNH2 3887/4885TMEM97 1782/4885
US-20080058337-A1 PYRROLOTRIAZINE KINASE INHIBITORS NTRK2, NTRK1, NTRK3 TAAR1 675/4885KCNH2 1583/4885TMEM97 1810/4885
US-20230399320-A1 NOVEL CAPSID ASSEMBLY INHIBITOR ZC3HAV1, COPB1, CNBP TAAR1 3355/4885KCNH2 3813/4885TMEM97 1519/4885

“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.