SCHEMBL767512

SCHEMBL767512

N#Cc1cccc2c[c]oc12

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
HTT P42858 1/20 0.37
TSHR P16473 1/20 0.33
CYP2A6 P11509 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL767227 0.69 ALDH1A1 (0.40) CA1CA2TSHRALDH1A1ACHE
SCHEMBL5310084 0.69 NPC1 (0.39) TSHRKDM4EALDH1A1GAA
SCHEMBL514334 0.69 CA12 (0.35) CA1CA2
SCHEMBL18936127 0.69 HTT (0.37) CA1CA2HTTTSHRKDM4E
SCHEMBL3203940 0.68 CA1 (0.41) CA1CA2HTTTSHRCYP2A6
Hydrochloric Acid SCHEMBL30200499 0.67 CA1 (0.40) CA1CA2HTTTSHRCYP2A6
SCHEMBL5543627 0.65 EPHX2 (0.32) KDM4E
SCHEMBL315654 0.65 CYP2A6 (0.47) CA1CA2HTTCYP2A6KDM4E
SCHEMBL21296179 0.65 ADORA3 (0.40) TSHRCYP2A6KDM4EALDH1A1
SCHEMBL29713452 0.65 HTT (0.44) CA1CA2HTTTSHRCYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106659161-B Amide compound and its harmful arthropod prevent and kill off purposes 住友化学株式会社 2019-08-02 CN disclosed
US-10251396-B2 Amide compound and use of same for noxious arthropod control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-04-09 US disclosed
US-20170295789-A1 AMIDE COMPOUND AND USE OF SAME FOR NOXIOUS ARTHROPOD CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-19 US disclosed
EP-3178322-A1 AMIDE COMPOUND AND USE OF SAME FOR NOXIOUS ARTHROPOD CONTROL Sumitomo Chemical Company Limited (JP) 2017-06-14 EP disclosed
US-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2014-02-20 US disclosed
US-8618307-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-12-31 US disclosed
US-20130245025-A1 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-09-19 US disclosed
EP-2619200-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM Calcimedica, Inc. (US) 2013-07-31 EP disclosed
US-8394848-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-03-12 US disclosed
US-8383670-B2 Trisubstituted thiophenes that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-02-26 US disclosed
EP-2477982-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM Calcimedica, Inc. (US) 2012-07-25 EP disclosed
WO-2012040511-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-03-29 WO disclosed
US-20120071516-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-03-22 US disclosed
US-20110212970-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-09-01 US disclosed
US-20110136816-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-06-09 US disclosed
WO-2011034962-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-03-24 WO disclosed
US-7906553-B2 Substituted thiophene modulators of intracellular calcium CALCIMEDICA, INC. (US) 2011-03-15 US disclosed
US-20100261725-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2010-10-14 US 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 (8 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-20100261725-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 CA1 1250/4885CA2 86/4885HTT 809/4885
US-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 CA1 1250/4885CA2 86/4885HTT 809/4885
US-20110212970-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 CA1 1250/4885CA2 86/4885HTT 809/4885
US-20170295789-A1 AMIDE COMPOUND AND USE OF SAME FOR NOXIOUS ARTHROPOD CONTROL OPRM1, TRPA1, L3MBTL3 CA1 752/4885CA2 885/4885HTT 2946/4885
US-20130245025-A1 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 CA1 1250/4885CA2 86/4885HTT 809/4885
US-20110136816-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 CA1 1250/4885CA2 86/4885HTT 809/4885
US-20120071516-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 CA1 1250/4885CA2 86/4885HTT 809/4885
US-10251396-B2 Amide compound and use of same for noxious arthropod control OPRM1, TRPA1, L3MBTL3 CA1 752/4885CA2 885/4885HTT 2946/4885

“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.