SCHEMBL3758822

SCHEMBL3758822

CN1CCC(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)c3ccc(S(=O)(=O)Nc4ccccc4Oc4ccccc4)cc3)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ITGB3 P05106 3/20 0.42
ITGA2B P08514 3/20 0.42
SLC6A5 Q9Y345 1/20 0.42
P2RX7 Q99572 3/20 0.41
F10 P00742 1/20 0.40
CA2 P00918 3/20 0.40
CA1 P00915 2/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
CALCRL Q16602 1/20 0.40
ACE P12821 1/20 0.39
HCRTR2 O43614 1/20 0.39
SLC6A4 P31645 1/20 0.39
HRH3 Q9Y5N1 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
SCHEMBL2905809 1.00 TDP1 (0.43) TDP1L3MBTL1ITGB3ITGA2BSLC6A5
SCHEMBL2903784 0.92 CALCRL (0.48) TDP1L3MBTL1ITGB3ITGA2BF10
SCHEMBL2903781 0.92 CALCRL (0.48) TDP1L3MBTL1ITGB3ITGA2BF10
SCHEMBL2906080 0.87 ITGB3 (0.47) TDP1L3MBTL1ITGB3ITGA2BF10
SCHEMBL2906079 0.87 ITGB3 (0.47) TDP1L3MBTL1ITGB3ITGA2BF10
SCHEMBL3746359 0.87 ITGB3 (0.47) TDP1L3MBTL1ITGB3ITGA2BF10
SCHEMBL2903709 0.86 ITGB3 (0.46) TDP1L3MBTL1ITGB3ITGA2BF10
SCHEMBL2903708 0.86 ITGB3 (0.46) TDP1L3MBTL1ITGB3ITGA2BF10
SCHEMBL2919067 0.85 F2 (0.46) TDP1L3MBTL1ITGB3ITGA2BF10
SCHEMBL3760950 0.85 F2 (0.46) TDP1L3MBTL1ITGB3ITGA2BF10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298299-A1 NON-PEPTIDE DERIVATIVES AS BRADYKININ B1 ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2010-11-25 US claimed

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-20100298299-A1 NON-PEPTIDE DERIVATIVES AS BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, NPBWR1 TDP1 3974/4885L3MBTL1 1411/4885ITGB3 2533/4885

“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.