SCHEMBL484302

SCHEMBL484302

O=C(O)c1ccc2c(c1)C(N1Cc3cccc(Cl)c3C1=O)CC2

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 2/20 0.42
MAPT P10636 1/20 0.40
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
DRD3 P35462 1/20 0.37
AKR1C3 P42330 3/20 0.37
AKR1C2 P52895 2/20 0.37
AKR1C1 Q04828 1/20 0.37
KDM4A O75164 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
PARP1 P09874 2/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
ESR2 Q92731 1/20 0.36
RORC P51449 1/20 0.36
ALDH1A1 P00352 1/20 0.35
FABP4 P15090 1/20 0.35
PARP2 Q9UGN5 1/20 0.35

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
SCHEMBL785044 1.00 CRBN (0.42) CRBNMAPTHTR2AHTR2CHTR2B
SCHEMBL484776 0.94 MAPT (0.41) CRBNMAPTHTR2AHTR2CHTR2B
SCHEMBL2822029 0.94 MAPT (0.41) CRBNMAPTHTR2AHTR2CHTR2B
SCHEMBL785475 0.94 MAPT (0.41) CRBNMAPTHTR2AHTR2CHTR2B
SCHEMBL785723 0.92 CRBN (0.42) CRBNMAPTHTR2AHTR2CHTR2B
SCHEMBL2816152 0.92 CRBN (0.42) CRBNMAPTHTR2AHTR2CHTR2B
SCHEMBL785795 0.92 CRBN (0.42) CRBNMAPTHTR2AHTR2CHTR2B
SCHEMBL785796 0.88 MAPT (0.40) CRBNMAPTALDH1A1
SCHEMBL484526 0.88 MAPT (0.40) CRBNMAPTALDH1A1
SCHEMBL877902 0.84 MTNR1B (0.40) CRBNMAPTHTR2AHTR2CHTR2B

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 17 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-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
EP-2619178-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2013-07-31 EP disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US 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
CN-102365276-A Substituted spiro-amide compounds GRUENENTHAL GMBH 2012-02-29 CN disclosed
EP-2411381-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-02-01 EP disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 WO disclosed
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 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 (3 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-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN CRBN 4520/4885MAPT 4634/4885HTR2A 1059/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CRBN 4520/4885MAPT 4634/4885HTR2A 1059/4885
US-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 CRBN 3728/4885MAPT 3149/4885HTR2A 475/4885

“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.