SCHEMBL2500631

SCHEMBL2500631

COCCn1c(-c2ccc(C(C)C)cc2)nc2c(I)ccc(OC)c21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CASR P41180 20/20 1.00

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
SCHEMBL2498300 0.89 CASR (1.00) CASR
SCHEMBL2498142 0.88 CASR (1.00) CASR
SCHEMBL2500716 0.87 CASR (0.77) CASR
SCHEMBL2497026 0.87 CASR (1.00) CASR
SCHEMBL2495163 0.86 CASR (0.83) CASR
SCHEMBL2496449 0.86 CASR (0.81) CASR
SCHEMBL2499814 0.85 CASR (0.80) CASR
SCHEMBL2502797 0.84 CASR (0.78) CASR
SCHEMBL2497014 0.84 CASR (0.78) CASR
SCHEMBL2493780 0.84 CASR (0.78) CASR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030497-B2 Benzimidazole derivatives NOVARTIS AG (CH) 2011-10-04 US claimed
EP-1709006-A1 BENZIMIDAZOLE DERIVATIVES Novartis AG (CH) 2006-10-11 EP claimed
WO-2005068433-A9 BENZIMIDAZOLE DERIVATIVES NOVARTIS AG (CH) 2005-09-15 WO claimed
WO-2005068433-A1 BENZIMIDAZOLE DERIVATIVES NOVARTIS AG (CH) 2005-07-28 WO claimed
US-8030497-B2 Benzimidazole derivatives NOVARTIS AG (CH) 2011-10-04 US disclosed
US-8030497-B2 Benzimidazole derivatives NOVARTIS AG (CH) 2011-10-04 US disclosed
US-8030497-B2 Benzimidazole derivatives NOVARTIS AG (CH) 2011-10-04 US disclosed
US-20100022565-A1 PHARMACEUTICAL COMPOSITIONS BUHL THOMAS 2010-01-28 US disclosed
EP-2124893-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING A CALCILYTIC AGENT Novartis AG (CH) 2009-12-02 EP disclosed
US-20090170921-A1 Benzimidazole derivatives NOVARTIS AG (CH) 2009-07-02 US disclosed
US-20090170921-A1 Benzimidazole derivatives NOVARTIS AG (CH) 2009-07-02 US disclosed
US-20090170921-A1 Benzimidazole derivatives NOVARTIS AG (CH) 2009-07-02 US disclosed
WO-2008107390-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING A CALCILYTIC AGENT NOVARTIS AG (CH) 2008-09-12 WO disclosed
EP-1964548-A1 Pharmaceutical compositions comprising a calcilytic agent Novartis AG (CH) 2008-09-03 EP disclosed
EP-1709006-A1 BENZIMIDAZOLE DERIVATIVES Novartis AG (CH) 2006-10-11 EP disclosed
WO-2005068433-A9 BENZIMIDAZOLE DERIVATIVES NOVARTIS AG (CH) 2005-09-15 WO disclosed
WO-2005068433-A1 BENZIMIDAZOLE DERIVATIVES NOVARTIS AG (CH) 2005-07-28 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 (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-20090170921-A1 Benzimidazole derivatives CYP3A7, UGT2B7, CYP2B6 CASR 3085/4885
US-20100022565-A1 PHARMACEUTICAL COMPOSITIONS PTH1R, CALCA, CALCR CASR 18/4885

“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.