SCHEMBL784503

SCHEMBL784503

O=C(O)NC1CCc2c(F)cc(Br)cc21

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 10/20 0.36
▸ CYP11B1 P15538 8/20 0.36
▸ ERN1 O75460 1/20 0.34
▸ CRBN Q96SW2 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TAS1R3 Q7RTX0 1/20 0.33
▸ TAS1R1 Q7RTX1 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TRPV1 Q8NER1 1/20 0.31

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
SCHEMBL803714 0.80 GAA (0.40) CYP11B2CYP11B1ALDH1A1KMT2A
SCHEMBL27001903 0.80 CRBN (0.43) CRBN
SCHEMBL27133713 0.80 CRBN (0.43) CRBN
SCHEMBL27125450 0.77 RIPK1 (0.39) KMT2AMEN1
SCHEMBL27001900 0.77 RIPK1 (0.39) KMT2AMEN1
SCHEMBL19948657 0.77 CYP11B1 (0.43) CYP11B2CYP11B1KMT2ANPSR1TAS1R3
SCHEMBL484798 0.73 LMNA (0.44) KMT2ATAS1R3TAS1R1LMNATRPV1
SCHEMBL15633368 0.73 CYP11B1 (0.37) CYP11B2CYP11B1ALDH1A1
SCHEMBL22126030 0.73 CYP11B1 (0.37) CYP11B2CYP11B1ALDH1A1
SCHEMBL22125835 0.73 CYP11B1 (0.37) CYP11B2CYP11B1ALDH1A1

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
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 — — US disclosed
EP-2619178-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2013-07-31 — — EP disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 — — WO 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 CYP11B2 3132/4885CYP11B1 2461/4885ERN1 2347/4885

“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.

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