SCHEMBL1998740

SCHEMBL1998740

NC1CCc2c1ccc(F)c2F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
CYP11B1 P15538 3/20 0.38
CYP11B2 P19099 3/20 0.38
ACHE P22303 2/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
IL1RN P18510 1/20 0.33
ERAP2 Q6P179 1/20 0.33
ERAP1 Q9NZ08 1/20 0.33
EPAS1 Q99814 1/20 0.33
KDM1A O60341 2/20 0.32
KDM1B Q8NB78 1/20 0.32

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
SCHEMBL23976418 0.81 KDM1A (0.49) DRD2DRD3CYP11B1CYP11B2ACHE
SCHEMBL17702023 0.80 DRD2 (0.53) DRD2DRD3CYP11B1CYP11B2ACHE
SCHEMBL1150855 0.80 DRD2 (0.53) DRD2DRD3CYP11B1CYP11B2ACHE
SCHEMBL4666253 0.80 DRD2 (0.53) DRD2DRD3CYP11B1CYP11B2ACHE
SCHEMBL5464649 0.79 DRD2 (0.38) DRD2DRD3CYP11B1CYP11B2ACHE
Hydrochloric Acid SCHEMBL17579984 0.78 DRD2 (0.51) DRD2DRD3CYP11B1CYP11B2ACHE
Hydrochloric Acid SCHEMBL3593159 0.78 DRD2 (0.51) DRD2DRD3CYP11B1CYP11B2ACHE
Hydrochloric Acid SCHEMBL31186912 0.78 DRD2 (0.51) DRD2DRD3CYP11B1CYP11B2ACHE
SCHEMBL9274574 0.76 CYP11B1 (0.38) DRD2DRD3CYP11B1CYP11B2CHRNB2
SCHEMBL31674209 0.74 ACHE (0.35) DRD2DRD3CYP11B1CYP11B2ACHE

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
WO-2021217508-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF HIF2α AND THEIR METHODS OF USE NOVARTIS AG (CH) 2021-11-04 WO 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-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
EP-1919886-B1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2010-10-06 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-2007020377-A2 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2007-02-22 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 (2 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 DRD2 2332/4885DRD3 581/4885CYP11B1 1663/4885
US-20110218341-A1 CHEMICAL COMPOUNDS OR10J3, NR0B1, NR0B2 DRD2 2184/4885DRD3 461/4885CYP11B1 1923/4885

“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.