SCHEMBL7515974

SCHEMBL7515974

CCCCc1ccc(C2COC(c3c(F)cccc3F)=N2)c(OCC)c1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.36
CYP2D6 P10635 1/20 0.36
CALM1 P0DP23 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
PCSK9 Q8NBP7 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
SCHEMBL16116997 0.85 TAAR1 (0.36) TAAR1CYP2D6HCRTR1HCRTR2
SCHEMBL15693450 0.84 TAAR1 (0.41) TAAR1CYP2D6L3MBTL1
SCHEMBL686717 0.84 TAAR1 (0.36) TAAR1CYP2D6PCSK9
SCHEMBL8966456 0.84 SPHK2 (0.39) TAAR1CYP2D6
SCHEMBL8662384 0.84 TAAR1 (0.38) TAAR1CYP2D6L3MBTL1
Etoxazole SCHEMBL29376426 0.82 TAAR1 (0.36) TAAR1CYP2D6
Etoxazole SCHEMBL27300 0.82 TAAR1 (0.36) TAAR1CYP2D6
Etoxazole SCHEMBL29763628 0.82 TAAR1 (0.36) TAAR1CYP2D6
SCHEMBL8655063 0.79 TAAR1 (0.34) TAAR1CYP2D6
SCHEMBL9306512 0.77 TAAR1 (0.44) TAAR1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120010076-A1 ACTIVE AGENT COMBINATIONS WITH INSECTICIDAL AND ACARICIDAL PROPERITIES BAYER CROPSCIENCE AG (DE) 2012-01-12 US disclosed
WO-2011134964-A1 SYNERGISTIC ACTIVE SUBSTANCE COMBINATIONS BAYER CROPSCIENCE AG (DE) 2011-11-03 WO disclosed
EP-2382865-A1 Synergistic active agent compounds Bayer CropScience AG (DE) 2011-11-02 EP disclosed
US-20100204167-A1 ACTIVE COMPOUND COMBINATIONS HAVING INSECTICIDAL AND ACARICIDAL PROPERTIES BAYER CROPSCIENCE AG (DE) 2010-08-12 US disclosed
US-20100168042-A1 ACTIVE AGENT COMBINATIONS WITH INSECTICIDAL AND ACARICIDAL PROPERTIES BAYER CROPSCIENCE AG (DE) 2010-07-01 US disclosed
WO-2009146793-A2 ACTIVE SUBSTANCE COMBINATIONS HAVING INSECTICIDAL AND ACARICIDAL PROPERTIES BAYER CROPSCIENCE AG 2009-12-10 WO disclosed
US-20090286788-A1 Active agent combinations with insecticidal and acaricidal properties BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-11-19 US disclosed
WO-2009039951-A2 ACTIVE INGREDIENT COMBINATIONS HAVING INSECTICIDAL AND ACARICIDAL PROPERTIES BAYER CROPSCIENCE AG (DE) 2009-04-02 WO disclosed
EP-2039248-A1 Active agent combinations with insecticide and acaricide properties Bayer CropScience AG (DE) 2009-03-25 EP disclosed
EP-1982594-A1 Active agent combinations with insecticidal and acaricidal properties Bayer CropScience AG (DE) 2008-10-22 EP disclosed
US-20080027114-A1 Active Agent Combinations with Insecticidal and Acaricidal Properties BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2008-01-31 US disclosed
WO-2008006513-A1 ACTIVE INGREDIENT COMBINATIONS WITH INSECTICIDAL AND ACARICIDAL PROPERTIES BAYER CROPSCIENCE AG (DE) 2008-01-17 WO disclosed
JP-2002012508-A CONTROLLING AGENT AGAINST MITE YASHIMA CHEMICAL IND CO LTD 2002-01-15 JP 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 (5 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-20080027114-A1 Active Agent Combinations with Insecticidal and Acaricidal Properties AADAC, ACAA2, AAAS TAAR1 2875/4885CYP2D6 3677/4885CALM1 2743/4885
US-20120010076-A1 ACTIVE AGENT COMBINATIONS WITH INSECTICIDAL AND ACARICIDAL PROPERITIES ACAA2, ACHE, AADAC TAAR1 3492/4885CYP2D6 2038/4885CALM1 3733/4885
US-20090286788-A1 Active agent combinations with insecticidal and acaricidal properties ACAA2, ACHE, AADAC TAAR1 3414/4885CYP2D6 2254/4885CALM1 3323/4885
US-20100204167-A1 ACTIVE COMPOUND COMBINATIONS HAVING INSECTICIDAL AND ACARICIDAL PROPERTIES ACHE, ACAT2, ACAT1 TAAR1 1773/4885CYP2D6 1537/4885CALM1 1467/4885
US-20100168042-A1 ACTIVE AGENT COMBINATIONS WITH INSECTICIDAL AND ACARICIDAL PROPERTIES AADAC, ACAA2, AAAS TAAR1 2875/4885CYP2D6 3677/4885CALM1 2743/4885

“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.