SCHEMBL1998256

SCHEMBL1998256

Cc1cccc2c1CCC2N=C=S

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.43
▸ ADRA2A P08913 1/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ ADRA1D P25100 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ ADRA1B P35368 1/20 0.41
▸ OPRL1 P41146 4/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ HTR2C P28335 5/20 0.33
▸ OPRM1 P35372 3/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ SLC6A2 P23975 2/20 0.31
▸ SLC6A4 P31645 2/20 0.31
▸ SLC6A3 Q01959 2/20 0.31
▸ FFAR1 O14842 1/20 0.31
▸ TRPV1 Q8NER1 1/20 0.31
▸ OPRD1 P41143 1/20 0.31
▸ OPRK1 P41145 1/20 0.31

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
SCHEMBL4701474 0.84 IDO1 (0.43) IDO1OPRL1OPRM1OPRD1OPRK1
SCHEMBL3207675 0.84 IDO1 (0.43) IDO1OPRL1OPRM1OPRD1OPRK1
SCHEMBL13490301 0.74 IDO1 (0.43) IDO1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL1922245 0.73 IDO1 (0.42) IDO1ADRA2BADRA2CADRA1A
SCHEMBL2541173 0.73 IDO1 (0.42) IDO1ADRA2BADRA2CADRA1A
SCHEMBL30578367 0.73 IDO1 (0.42) IDO1ADRA2BADRA2CADRA1A
SCHEMBL413037 0.70 ADRA2A (0.49) IDO1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL12437186 0.68 ACHE (0.48) IDO1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL1508536 0.68 OPRL1 (0.51) IDO1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL1150672 0.68 ACHE (0.48) IDO1ADRA2AADRA2BADRA2CADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309739-B2 Chemical compounds SYNGENTA LIMITED (GB) 2012-11-13 — — US disclosed
US-8309739-B2 Chemical compounds SYNGENTA LIMITED (GB) 2012-11-13 — — US disclosed
US-8309739-B2 Chemical compounds SYNGENTA LIMITED (GB) 2012-11-13 — — US disclosed
US-20110218341-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-09-08 — — US disclosed
US-20110218341-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-09-08 — — US disclosed
US-20110218341-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-09-08 — — US disclosed
US-7960310-B2 Method of combating and controlling insects SYNGENTA PARTICIPATIONS AG (CH) 2011-06-14 — — US disclosed
US-7960310-B2 Method of combating and controlling insects SYNGENTA PARTICIPATIONS AG (CH) 2011-06-14 — — US disclosed
US-7960310-B2 Method of combating and controlling insects SYNGENTA PARTICIPATIONS AG (CH) 2011-06-14 — — US disclosed
EP-1919886-B1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2010-10-06 — — EP disclosed
US-20100048699-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-02-25 — — US disclosed
US-20100048699-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-02-25 — — US disclosed
EP-2043444-A1 CHEMICAL COMPOUNDS Syngenta Limited (GB) 2009-04-08 — — EP disclosed
US-20080300285-A1 Chemical Compounds SYNGENTA CROP PROTECTION, INC. (US) 2008-12-04 — — US disclosed
US-20080300285-A1 Chemical Compounds SYNGENTA CROP PROTECTION, INC. (US) 2008-12-04 — — US disclosed
US-20080300285-A1 Chemical Compounds SYNGENTA CROP PROTECTION, INC. (US) 2008-12-04 — — US disclosed
EP-1919886-A2 CHEMICAL COMPOUNDS Syngeta Participations AG (CH) 2008-05-14 — — EP disclosed
WO-2008009881-A1 CHEMICAL COMPOUNDS SYNGENTA LIMITED. (GB) 2008-01-24 — — WO disclosed
WO-2008009881-A1 CHEMICAL COMPOUNDS SYNGENTA LIMITED. (GB) 2008-01-24 — — WO disclosed
WO-2007020377-A2 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2007-02-22 — — 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-20080300285-A1 Chemical Compounds CHRM5, OR10J3, CHRM3 IDO1 1415/4885ADRA2A 1863/4885ADRA2B 1522/4885
US-20100048699-A1 CHEMICAL COMPOUNDS ACHE, TYR, SGMS1 IDO1 711/4885ADRA2A 2647/4885ADRA2B 2695/4885
US-20110218341-A1 CHEMICAL COMPOUNDS OR10J3, NR0B1, NR0B2 IDO1 1301/4885ADRA2A 2245/4885ADRA2B 1885/4885

“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.

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