SCHEMBL2701413

SCHEMBL2701413

COc1ccc(F)c(C(OC)OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.41
ADRA2A P08913 2/20 0.40
ADRA1A P35348 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA12 O43570 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
ACHE P22303 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP2A6 P11509 1/20 0.38
NFE2L2 Q16236 1/20 0.38

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
SCHEMBL28056382 0.84 CYP1A2 (0.42) CYP2D6ADRA2AADRA1ACHRM2CHRM1
SCHEMBL17115832 0.83 CYP2D6 (0.43) CYP2D6ADRA2AADRA1ACHRM2CHRM1
SCHEMBL7937557 0.82 CYP2D6 (0.46) CYP2D6ADRA2AADRA1ACHRM2CHRM1
SCHEMBL903776 0.80 CYP2D6 (0.41) CYP2D6ADRA2AADRA1ACHRM2CHRM1
SCHEMBL20256745 0.80 ADRA2A (0.46) CYP2D6ADRA2AADRA1ACHRM2CHRM1
SCHEMBL6204193 0.79 CES2 (0.42) CA9CA14MEN1KMT2ANFE2L2
SCHEMBL16960809 0.78 CYP2D6 (0.43) CYP2D6ADRA2AADRA1ACHRM2CHRM1
SCHEMBL31119095 0.78 CYP2D6 (0.43) CYP2D6ADRA2AADRA1ACHRM2CHRM1
SCHEMBL31119047 0.78 ADRA2A (0.49) CYP2D6ADRA2AADRA1AMEN1KMT2A
SCHEMBL2823287 0.78 CYP2D6 (0.53) CYP2D6ADRA2AADRA1ACHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2194046-B1 Triazolone derivative EISAI R&D MAN CO LTD (JP) 2012-05-09 EP disclosed
US-7816522-B2 Triazolone derivatives EISAI CO., LTD. (JP) 2010-10-19 US disclosed
EP-2194046-A1 Triazolone derivative Eisai R&D Management Co., Ltd. (JP) 2010-06-09 EP disclosed
EP-2000465-A1 TRIAZOLONE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2008-12-10 EP disclosed
US-20080015199-A1 Triazolone derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-01-17 US 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 (1 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-20080015199-A1 Triazolone derivatives F3, F12, F2 CYP2D6 347/4885ADRA2A 542/4885ADRA1A 163/4885

“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.