SCHEMBL1544543

SCHEMBL1544543

Sc1nnc(-c2ccncc2)n1C1CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
RXFP1 Q9HBX9 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 1/20 0.39
CYP3A4 P08684 2/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 3/20 0.37
ALPL P05186 1/20 0.36
ALPI P09923 1/20 0.36
METAP2 P50579 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPK13 O15264 1/20 0.34

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
SCHEMBL19281546 0.81 HPGD (0.40) GAATSHRHTTALDH1A1KDM4E
SCHEMBL17725768 0.81 GAA (0.40) GAATSHRALDH1A1KDM4ECYP1A2
SCHEMBL13739818 0.81 CYP11B2 (0.55) ALDH1A1HPGDMEN1KMT2ACYP11B2
SCHEMBL1545084 0.81 GAA (0.46) GAARXFP1CTDSP1TDP1L3MBTL1
SCHEMBL26971202 0.78 CYP3A4 (0.43) GAARXFP1TSHRCYP3A4ALDH1A1
SCHEMBL5332912 0.77 GAA (0.40) GAATSHRCYP3A4HTTALDH1A1
SCHEMBL1104432 0.77 NPSR1 (0.44) GAATSHRCYP3A4ALDH1A1CYP1A2
SCHEMBL1544457 0.76 GAA (0.48) GAARXFP1CTDSP1TDP1L3MBTL1
SCHEMBL2895724 0.76 GAA (0.45) GAARXFP1CTDSP1TDP1L3MBTL1
SCHEMBL1544760 0.76 GAA (0.45) GAARXFP1CTDSP1TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11856955-B2 Binary compositions as disruptors of Orco-mediated odorant sensing VANDERBILT UNIVERSITY (US) 2024-01-02 US disclosed
US-11856955-B2 Binary compositions as disruptors of Orco-mediated odorant sensing VANDERBILT UNIVERSITY (US) 2024-01-02 US disclosed
US-20200390099-A1 BINARY COMPOSITIONS AS DISRUPTORS OF ORCO-MEDIATED ODORANT SENSING UNIV VANDERBILT (US) 2020-12-17 US disclosed
US-10791739-B2 Binary compositions as disruptors of orco-mediated odorant sensing VANDERBILT UNIVERSITY (US) 2020-10-06 US disclosed
US-20180192651-A1 THERMAL VOLATILIZATION OF ORCO AGONISTS VANDERBILT UNIVERSITY 2018-07-12 US disclosed
US-20180192651-A1 THERMAL VOLATILIZATION OF ORCO AGONISTS VANDERBILT UNIVERSITY 2018-07-12 US disclosed
US-20180092359-A1 BINARY COMPOSITIONS AS DISRUPTORS OF ORCO-MEDIATED ODORANT SENSING VANDERBILT UNIVERSITY 2018-04-05 US disclosed
US-20180092359-A1 BINARY COMPOSITIONS AS DISRUPTORS OF ORCO-MEDIATED ODORANT SENSING VANDERBILT UNIVERSITY 2018-04-05 US disclosed
WO-2017011466-A1 THERMAL VOLATILIZATION OF ORCO AGONISTS ZWIEBEL LAURENCE J (US) 2017-01-19 WO disclosed
WO-2016154471-A1 BINARY COMPOSITIONS AS DISRUPTORS OF ORCO-MEDIATED ODORANT SENSING VANDERBILT UNIVERSITY (US) 2016-09-29 WO disclosed
CN-1894241-A \"1, 2, 4\" oxadiazoles as modulators of metabotropic glutamate receptor-5 ASTRAZENECA AB (SE) 2007-01-10 CN disclosed
EP-1716125-A1 TETRAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONITS AstraZeneca AB (SE) 2006-11-02 EP disclosed
US-20060122397-A1 Exhibiting an activity at metabotropic glutamate receptors (mGluRs), especially at the mGluR5 receptor; neurological disorders, psychiatric disorders, acute and chronic pain ASTRAZENECA AB (SE) 2006-06-08 US disclosed
WO-2006014185-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2006-02-09 WO disclosed
US-20060004021-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2006-01-05 US disclosed
US-20050272779-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2005-12-08 US disclosed
WO-2005080356-A1 TETRAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONITS ASTRAZENECA AB (SE) 2005-09-01 WO disclosed
EP-1529045-A2 NEW COMPOUNDS Astra Zeneca AB (SE) 2005-05-11 EP disclosed
US-20040152699-A1 Compounds ASTRAZENECA AND NPS PHARMACEUTICALS, INC. 2004-08-05 US disclosed
WO-2004014881-A2 '1,2,4'OXADIAZOLES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 ASTRA ZENECA AB (SE) 2004-02-19 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-11856955-B2 Binary compositions as disruptors of Orco-mediated odorant sensing OR51E2, OR10J3, ORC3 GAA 4564/4885RXFP1 1637/4885CTDSP1 3820/4885
US-20040152699-A1 Compounds SDHA, CYP11B2, CYP11B1 GAA 217/4885RXFP1 2093/4885CTDSP1 3660/4885
US-20060122397-A1 Exhibiting an activity at metabotropic glutamate receptors (mGluRs), especially at the mGluR5 receptor; neurological disorders, psychiatric disorders, acute and chronic pain GRM5, GRIK5, GRM1 GAA 2576/4885RXFP1 530/4885CTDSP1 3902/4885
US-20060004021-A1 Tetrazole compounds and their use as metabotropic glutamate receptor antagonists GRM1, GRM3, GRM4 GAA 3102/4885RXFP1 225/4885CTDSP1 1956/4885
US-20050272779-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM5, GRIK5, GRM2 GAA 1542/4885RXFP1 717/4885CTDSP1 3541/4885
US-20180192651-A1 THERMAL VOLATILIZATION OF ORCO AGONISTS OR51E2, OR10J3, TRPA1 GAA 4303/4885RXFP1 479/4885CTDSP1 4549/4885
US-20180092359-A1 BINARY COMPOSITIONS AS DISRUPTORS OF ORCO-MEDIATED ODORANT SENSING OR51E2, OR10J3, ORC3 GAA 4521/4885RXFP1 1543/4885CTDSP1 3897/4885
US-20200390099-A1 BINARY COMPOSITIONS AS DISRUPTORS OF ORCO-MEDIATED ODORANT SENSING OR51E2, OR10J3, ORC3 GAA 4564/4885RXFP1 1637/4885CTDSP1 3820/4885
US-10791739-B2 Binary compositions as disruptors of orco-mediated odorant sensing OR51E2, OR10J3, ORC3 GAA 4521/4885RXFP1 1543/4885CTDSP1 3897/4885

“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.