SCHEMBL6070165

SCHEMBL6070165

CCOC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1C(F)(F)F

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.71
TRPC1 P48995 2/20 0.61
TRPC3 Q13507 2/20 0.61
STIM1 Q13586 2/20 0.61
ORAI1 Q96D31 2/20 0.61
STIM2 Q9P246 2/20 0.61
ACHE P22303 3/20 0.61
L3MBTL1 Q9Y468 5/20 0.55
HTT P42858 1/20 0.55
KDM4E B2RXH2 6/20 0.51
HPGD P15428 6/20 0.51
ALDH1A1 P00352 6/20 0.51
MEN1 O00255 2/20 0.51
GAA P10253 2/20 0.51
KMT2A Q03164 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
RAB9A P51151 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50

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
SCHEMBL21419596 0.86 TRPC1 (0.68) MAPTTRPC1TRPC3STIM1ORAI1
SCHEMBL1194642 0.85 TRPC1 (0.67) MAPTTRPC1TRPC3STIM1ORAI1
SCHEMBL13519243 0.85 MAPT (0.78) MAPTL3MBTL1HTTHPGDALDH1A1
SCHEMBL8345184 0.85 TRPC1 (0.67) MAPTTRPC1TRPC3STIM1ORAI1
SCHEMBL2325526 0.84 MAPT (0.76) MAPTTRPC1TRPC3STIM1ORAI1
SCHEMBL5533620 0.84 TRPC1 (0.66) MAPTTRPC1TRPC3STIM1ORAI1
SCHEMBL19692480 0.84 TRPC1 (0.66) MAPTTRPC1TRPC3STIM1ORAI1
SCHEMBL1814204 0.83 ALDH1A1 (0.67) MAPTTRPC1TRPC3STIM1ORAI1
SCHEMBL31000766 0.83 MAPT (1.00) MAPTL3MBTL1HTTHPGDALDH1A1
SCHEMBL12931795 0.83 TRPC1 (0.66) MAPTTRPC1TRPC3STIM1ORAI1

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
US-20230265068-A1 TRANSIENT RECEPTOR POTENTIAL CANONICAL 3 INHIBITORS AND METHODS OF USE THEREOF UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2023-08-24 US disclosed
US-20230265068-A1 TRANSIENT RECEPTOR POTENTIAL CANONICAL 3 INHIBITORS AND METHODS OF USE THEREOF UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2023-08-24 US disclosed
WO-2022081573-A1 TRANSIENT RECEPTOR POTENTIAL CANONICAL 3 INHIBITORS AND METHODS OF USE THEREOF UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2022-04-21 WO disclosed
EP-3468964-B1 MODULATORS OF SOCE, COMPOSITIONS, AND USES THEREOF UNIV DEGLI STUDI DEL PIEMONTE ORIENTALE AMEDEO AVOGADRO (IT) 2020-12-30 EP disclosed
US-20190300509-A1 MODULATORS OF SOCE, COMPOSITIONS, AND USES THEREOF UNIVERSITA DEGLI STUDI DEL PIEMONTE ORIENTALE "AMEDEO AVOGADRO" (IT) 2019-10-03 US disclosed
EP-3468964-A1 MODULATORS OF SOCE, COMPOSITIONS, AND USES THEREOF Università degli Studi del Piemonte Orientale "Amedeo Avogadro" (IT) 2019-04-17 EP disclosed
WO-2017212414-A1 MODULATORS OF SOCE, COMPOSITIONS, AND USES THEREOF UNIVERSITÀ DEGLI STUDI DEL PIEMONTE ORIENTALE "AMEDEO AVOGADRO" (IT) 2017-12-14 WO disclosed
US-7087634-B2 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION (US) 2006-08-08 US disclosed
US-20030236412-A1 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION 2003-12-25 US disclosed
US-6569885-B1 Such as 1-(4-bromophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid ethyl ester; side effect reduction; for treatment of central nervous system disorders ICOS CORPORATION 2003-05-27 US disclosed
EP-1248781-A1 PYRAZOLE CYCLIC AMP-SPECIFIC PDE INHIBITORS ICOS CORPORATION (US) 2002-10-16 EP disclosed
WO-2001046172-A1 PYRAZOLE CYCLIC AMP-SPECIFIC PDE INHIBITORS ICOS CORPORATION (US) 2001-06-28 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-20190300509-A1 MODULATORS OF SOCE, COMPOSITIONS, AND USES THEREOF STIM1, ORAI1, SARAF MAPT 2717/4885TRPC1 11/4885TRPC3 12/4885
US-20230265068-A1 TRANSIENT RECEPTOR POTENTIAL CANONICAL 3 INHIBITORS AND METHODS OF USE THEREOF TRPC3, TRPV3, TRPV1 MAPT 2823/4885TRPC1 5/4885TRPC3 1/4885
US-20030236412-A1 Cyclic AMP-specific phosphodiesterase inhibitors PDE4A, PDE4B, PDE7A MAPT 2234/4885TRPC1 3392/4885TRPC3 2445/4885

“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.