SCHEMBL3396431

SCHEMBL3396431

c1ccc(-c2nnn(C3CCCCO3)n2)c(-c2ccc(C3OCCCO3)cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.38
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL3397052 0.81 ITGB1 (0.33) ABCG2
SCHEMBL3392652 0.79 KDM4C (0.34) ABCG2DRD2DRD4DRD3
SCHEMBL2818087 0.79 NPC1 (0.40) ABCG2DRD2DRD4DRD3
SCHEMBL3396469 0.79 ATR (0.33) DRD4
SCHEMBL2816399 0.79 AGTR1 (0.35) ABCG2
SCHEMBL3395211 0.74 ABCG2 (0.39) ABCG2
SCHEMBL17941564 0.73 LMNA (0.42) DRD2DRD4DRD3
SCHEMBL1157284 0.70 CYP4F2 (0.38) DRD2DRD4DRD3
SCHEMBL17941589 0.69 MAPT (0.41)
SCHEMBL30655993 0.67 BRD4 (0.36) DRD2DRD4DRD3

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-2246348-A1 Coupling reactions useful in the preparation of (1h-tetrazol-5-yl)-biphenyl derivatives Novartis AG (CH) 2010-11-03 EP disclosed
US-20100152458-A1 COUPLING REACTIONS USEFUL IN THE PREPARATION OF (1H-TETRAZOL-5-YL) BIPHENYL DERIVATIVES NOVARTIS PHARMACEUTICALS CORPORATION 2010-06-17 US disclosed
US-7700784-B2 Coupling reactions useful in the preparation of (1h-tetrazol-5-yl) biphenyl derivatives NOVARTIS AG (CH) 2010-04-20 US disclosed
US-20070129413-A1 Coupling reactions useful in the preparation of (1h-tetrazol-5-yl) biphenyl derivatives NOVARTIS PHARMACEUTICALS CORPORATION 2007-06-07 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 (2 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-20100152458-A1 COUPLING REACTIONS USEFUL IN THE PREPARATION OF (1H-TETRAZOL-5-YL) BIPHENYL DERIVATIVES AGTR1, AGTR2, AGT ABCG2 496/4885DRD2 2913/4885DRD4 2592/4885
US-20070129413-A1 Coupling reactions useful in the preparation of (1h-tetrazol-5-yl) biphenyl derivatives AGTR1, AGTR2, AGT ABCG2 1654/4885DRD2 4671/4885DRD4 4471/4885

“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.