SCHEMBL785746

SCHEMBL785746

O=C(O)c1cc2c(cc1F)C(N1Cc3cccc(Cl)c3C1=O)CC2

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
CRBN Q96SW2 2/20 0.40
POLB P06746 3/20 0.39
RORC P51449 2/20 0.39
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
PARP1 P09874 3/20 0.37
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
HTT P42858 1/20 0.37
ESR2 Q92731 1/20 0.37
PARP2 Q9UGN5 1/20 0.36

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
SCHEMBL785549 1.00 MAPT (0.41) MAPTCRBNPOLBRORCAKR1C3
SCHEMBL803567 0.88 MAPT (0.41) MAPTCRBNPOLBPARP1PARP2
SCHEMBL2816152 0.84 CRBN (0.42) MAPTCRBNPOLBRORCAKR1C3
SCHEMBL785723 0.84 CRBN (0.42) MAPTCRBNPOLBRORCAKR1C3
SCHEMBL785795 0.84 CRBN (0.42) MAPTCRBNPOLBRORCAKR1C3
SCHEMBL484302 0.83 CRBN (0.42) MAPTCRBNPOLBRORCAKR1C3
SCHEMBL785044 0.83 CRBN (0.42) MAPTCRBNPOLBRORCAKR1C3
SCHEMBL2821894 0.83 MAPT (0.46) MAPTCRBNPOLBPARP1HTR2A
SCHEMBL2816182 0.83 MAPT (0.46) MAPTCRBNPOLBPARP1HTR2A
SCHEMBL877902 0.78 MTNR1B (0.40) MAPTCRBNPOLBPARP1HTR2A

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 2 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
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 MAPT 3149/4885CRBN 3728/4885POLB 3355/4885

“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.