SCHEMBL2646840

SCHEMBL2646840

O=C(C=Cc1ccc(-c2ccccc2)cc1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.57
MAOB P27338 6/20 0.56
CYP1B1 Q16678 4/20 0.56
MAPT P10636 3/20 0.56
CYP1A1 P04798 2/20 0.56
KMT2A Q03164 2/20 0.56
TNFRSF1A P19438 2/20 0.56
BCHE P06276 2/20 0.56
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.56
HSPD1 P10809 1/20 0.56
HSPE1 P61604 1/20 0.56
CYP3A4 P08684 1/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
F3 P13726 1/20 0.52
MAOA P21397 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52

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
SCHEMBL9071415 1.00 CYP2D6 (0.57) CYP2D6MAOBCYP1B1MAPTCYP1A1
SCHEMBL9071316 1.00 CYP2D6 (0.57) CYP2D6MAOBCYP1B1MAPTCYP1A1
SCHEMBL2646839 1.00 CYP2D6 (0.57) CYP2D6MAOBCYP1B1MAPTCYP1A1
SCHEMBL2646597 0.92 CYP3A4 (0.66) CYP2D6MAOBCYP1B1MAPTCYP1A1
SCHEMBL2664927 0.92 CYP3A4 (0.66) CYP2D6MAOBCYP1B1MAPTCYP1A1
SCHEMBL2646595 0.92 CYP1B1 (0.66) CYP2D6MAOBCYP1B1MAPTCYP1A1
SCHEMBL2647392 0.90 CYP2D6 (0.63) CYP2D6MAOBCYP1B1MAPTCYP1A1
SCHEMBL2647212 0.89 SRD5A2 (0.58) CYP2D6MAOBCYP1B1MAPTCYP1A1
SCHEMBL2647210 0.89 SRD5A2 (0.58) CYP2D6MAOBCYP1B1MAPTCYP1A1
SCHEMBL25202905 0.87 XDH (0.67) CYP2D6MAOBCYP1B1MAPTCYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1463715-A1 NOVEL GLUCAGON ANTAGONISTS NOVO NORDISK A/S (DK) 2004-10-06 EP disclosed
US-6762318-B2 CARBOXYLIC ACID OR TETRAZOLE DERIVATIZED SECONDARY AMIDES; ORAL ADMINISTRATION NOVO NORDISK A/S (DK) 2004-07-13 US disclosed
US-20030236292-A1 Stimulant releasing glucose from liver cells; antidiabetic agents PFIZER INC 2003-12-25 US disclosed
WO-2003048109-A1 NOVEL GLUCAGON ANTAGONISTS NOVO NORDISK A/S (DK) 2003-06-12 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 (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-20030236292-A1 Stimulant releasing glucose from liver cells; antidiabetic agents GPR119, GLP1R, GIPR CYP2D6 2704/4885MAOB 3317/4885CYP1B1 3336/4885

“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.