SCHEMBL6684344

SCHEMBL6684344

CC[C@@H]1C(C)=NN=C(c2ccc(O)c(OC)c2)c2cc(OC)c(O)cc21

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.74
CHRM1 P11229 1/20 0.74
PDE4A P27815 1/20 0.74
KMT2A Q03164 1/20 0.74
PDE4D Q08499 1/20 0.74
PDE3A Q14432 1/20 0.74
GAA P10253 3/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX5 P09917 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
RECQL P46063 1/20 0.39
GFER P55789 1/20 0.39
POLB P06746 1/20 0.39
FYN P06241 3/20 0.38
CHEK2 O96017 1/20 0.38
CXCL12 P48061 1/20 0.38
KDM4E B2RXH2 2/20 0.37
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37

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
SCHEMBL3245395 1.00 MEN1 (0.74) MEN1CHRM1PDE4AKMT2APDE4D
SCHEMBL5497371 1.00 MEN1 (0.74) MEN1CHRM1PDE4AKMT2APDE4D
SCHEMBL4593681 0.97 MEN1 (0.73) MEN1CHRM1PDE4AKMT2APDE4D
SCHEMBL7432334 0.95 MEN1 (0.70) MEN1CHRM1PDE4AKMT2APDE4D
SCHEMBL5494910 0.95 MEN1 (0.82) MEN1CHRM1PDE4AKMT2APDE4D
SCHEMBL3245862 0.95 MEN1 (0.82) MEN1CHRM1PDE4AKMT2APDE4D
SCHEMBL6690339 0.95 MEN1 (0.82) MEN1CHRM1PDE4AKMT2APDE4D
SCHEMBL4307435 0.94 MEN1 (0.84) MEN1CHRM1PDE4AKMT2APDE4D
SCHEMBL5426502 0.94 MEN1 (0.84) MEN1CHRM1PDE4AKMT2APDE4D
SCHEMBL3244539 0.94 MEN1 (0.84) MEN1CHRM1PDE4AKMT2APDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040229866-A1 Method of lowering body temperature with (S)-2,3-benzodiazepines VELA PHARMACEUTICALS, INC. 2004-11-18 US claimed
WO-2004073638-A2 METHOD OF LOWERING BODY TEMPERATURE WITH (S)-2,3-BENZODIAZEPINES VELA PHARMACEUTICALS, INC. (US) 2004-09-02 WO claimed
US-20040229866-A1 Method of lowering body temperature with (S)-2,3-benzodiazepines VELA PHARMACEUTICALS, INC. 2004-11-18 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-20040229866-A1 Method of lowering body temperature with (S)-2,3-benzodiazepines CYP11B2, CYP2S1, CYP1A2 MEN1 2972/4885CHRM1 700/4885PDE4A 1719/4885

“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.