SCHEMBL3396568

SCHEMBL3396568

CN(C)/C=C(/C(=O)c1ccc(Br)cc1Cl)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
CYP11B1 P15538 9/20 0.46
CYP11B2 P19099 8/20 0.46
GLA P06280 1/20 0.45
FLT1 P17948 2/20 0.44
FLT4 P35916 2/20 0.44
KDR P35968 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 2/20 0.40
CYP1A2 P05177 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
CYP2C19 P33261 1/20 0.40
UTS2R Q9UKP6 1/20 0.39

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
SCHEMBL3396571 1.00 POLB (0.50) POLBCYP11B1CYP11B2GLAFLT1
SCHEMBL3820851 0.92 POLB (0.53) POLBCYP11B1CYP11B2GLAFLT1
SCHEMBL3820854 0.92 POLB (0.53) POLBCYP11B1CYP11B2GLAFLT1
SCHEMBL1404594 0.89 POLB (0.61) POLBCYP11B1CYP11B2GLASMN1; SMN2
SCHEMBL1404593 0.89 POLB (0.61) POLBCYP11B1CYP11B2GLASMN1; SMN2
SCHEMBL5366177 0.82 POLB (0.54) POLBCYP11B1CYP11B2GLAFLT1
SCHEMBL5366180 0.82 POLB (0.54) POLBCYP11B1CYP11B2GLAFLT1
SCHEMBL5363256 0.81 POLB (0.53) POLBCYP11B1CYP11B2GLAFLT1
SCHEMBL5363262 0.81 POLB (0.53) POLBCYP11B1CYP11B2GLAFLT1
SCHEMBL3479454 0.80 CYP11B1 (0.63) POLBCYP11B1CYP11B2GLASMN1; SMN2

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-2146997-B1 SUBSTITUTED FURO[2,3-B]PYRIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2010-11-10 EP disclosed
EP-2146997-A1 SUBSTITUTED FURO[2,3-B]PYRIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2010-01-27 EP disclosed
US-20080269279-A1 Substituted furo[2,3-B] pyridine derivatives as cannabinoid-1 receptor modulators MERCK SHARP & DOHME CORP. 2008-10-30 US disclosed
WO-2008127585-A1 SUBSTITUTED FURO[2,3-B]PYRIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2008-10-23 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-20080269279-A1 Substituted furo[2,3-B] pyridine derivatives as cannabinoid-1 receptor modulators CNR1, CNR2, FAAH POLB 2038/4885CYP11B1 350/4885CYP11B2 532/4885

“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.