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SCHEMBL785285

SCHEMBL785285

Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)[C@H](NC(=O)CC(C)C)CC4)CC2)nc(C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAF1 P21675 3/20 0.41
▸ CECR2 Q9BXF3 3/20 0.41
▸ BRD9 Q9H8M2 3/20 0.41
▸ TLR9 Q9NR96 1/20 0.39
▸ TLR8 Q9NR97 1/20 0.39
▸ TLR7 Q9NYK1 1/20 0.39
▸ JAK2 O60674 2/20 0.35
▸ JAK1 P23458 2/20 0.35
▸ WDR5 P61964 4/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SORD Q00796 1/20 0.33
▸ MRGPRX2 Q96LB1 2/20 0.33

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
SCHEMBL784371 0.95 TAF1 (0.40) TAF1CECR2BRD9TLR9TLR8
SCHEMBL785567 0.94 TAF1 (0.40) TAF1CECR2BRD9TLR9TLR8
SCHEMBL783606 0.90 TLR9 (0.42) TLR9TLR8TLR7JAK2JAK1
SCHEMBL785297 0.88 TAF1 (0.42) TAF1CECR2BRD9TLR9TLR8
SCHEMBL27920403 0.88 CA12 (0.41) TAF1CECR2BRD9TLR9TLR8
SCHEMBL785476 0.87 TAF1 (0.41) TAF1CECR2BRD9TLR9TLR8
SCHEMBL27902670 0.86 TAF1 (0.43) TAF1CECR2BRD9TLR9TLR8
SCHEMBL784382 0.86 TAF1 (0.40) TAF1CECR2BRD9TLR9TLR8
SCHEMBL784135 0.85 TSHR (0.44) TAF1CECR2BRD9TLR9TLR8
SCHEMBL27920503 0.85 ACHE (0.43) TAF1CECR2BRD9TLR9TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 — — US claimed
CN-103097354-A Substituted benzamide compounds GRUENENTHAL CHEMIE 2013-05-08 — — CN claimed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 — — US claimed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 — — US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 — — US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 — — US disclosed
CN-103097354-A Substituted benzamide compounds GRUENENTHAL CHEMIE 2013-05-08 — — CN disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 — — US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 — — 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 (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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 TAF1 2144/4885CECR2 888/4885BRD9 243/4885

“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.