SCHEMBL3312852

SCHEMBL3312852

COc1cc(OC)c(NC(=O)Cn2c(=O)n(CC(=O)NC3CCCC3)c(=O)c3ccccc32)cc1Cl

nearest known ligand 0.86

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 14/20 0.80
KMT2A Q03164 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
TSHR P16473 1/20 0.62
HTT P42858 1/20 0.61
CYP3A4 P08684 1/20 0.59
CYP2C19 P33261 1/20 0.59

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
SCHEMBL3311240 0.96 S1PR2 (0.83) S1PR2
SCHEMBL14068491 0.94 S1PR2 (0.71) S1PR2KMT2ASMN1; SMN2TSHRHTT
SCHEMBL13332602 0.94 S1PR2 (0.79) S1PR2
SCHEMBL3310336 0.94 S1PR2 (0.79) S1PR2
SCHEMBL3312182 0.92 S1PR2 (0.68) S1PR2KMT2ASMN1; SMN2TSHRHTT
SCHEMBL22693602 0.92 S1PR2 (0.70) S1PR2KMT2ATSHRCYP3A4CYP2C19
SCHEMBL3312288 0.90 S1PR2 (0.79) S1PR2
SCHEMBL14068349 0.90 S1PR2 (0.73) S1PR2SMN1; SMN2
SCHEMBL13361505 0.90 S1PR2 (0.65) S1PR2KMT2ASMN1; SMN2TSHRHTT
SCHEMBL13361540 0.90 S1PR2 (0.65) S1PR2KMT2ASMN1; SMN2TSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101622234-B Bicyclic organic compounds suitable for the treatment of inflammatory or allergic conditions NOVARTIS AG 2013-08-07 CN claimed
US-20140187550-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS NOVARTIS AG (CH) 2014-07-03 US disclosed
US-20140187550-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS NOVARTIS AG (CH) 2014-07-03 US disclosed
US-8633211-B2 Bicyclic organic compounds suitable for the treatment of inflammatory or allergic conditions NOVARTIS AG (CH) 2014-01-21 US disclosed
US-8633211-B2 Bicyclic organic compounds suitable for the treatment of inflammatory or allergic conditions NOVARTIS AG (CH) 2014-01-21 US disclosed
US-8633211-B2 Bicyclic organic compounds suitable for the treatment of inflammatory or allergic conditions NOVARTIS AG (CH) 2014-01-21 US disclosed
US-20100113774-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS NOVARTIS AG (CH) 2010-05-06 US disclosed
US-20100113774-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS NOVARTIS AG (CH) 2010-05-06 US disclosed
EP-2132186-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS Novartis AG (CH) 2009-12-16 EP disclosed
WO-2008107436-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS NOVARTIS AG (CH) 2008-09-12 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 (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-20100113774-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS S1PR3, S1PR1, S1PR2 S1PR2 3/4885KMT2A 2397/4885SMN1; SMN2 4130/4885
US-20140187550-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS S1PR3, S1PR1, S1PR2 S1PR2 3/4885KMT2A 2194/4885SMN1; SMN2 4399/4885

“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.