SCHEMBL485010

SCHEMBL485010

Cc1cccc(Cl)c1C(=O)NC1CCc2ccc(C(=O)N3CCC4(CCN(Cc5ccc6c(c5)nnn6C)CC4)C3)cc21

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.37
CDK9 P50750 1/20 0.36
BDKRB1 P46663 4/20 0.36
ACKR3 P25106 1/20 0.36
HPGD P15428 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CHRM2 P08172 2/20 0.34
CHRM3 P20309 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MCHR1 Q99705 1/20 0.34
HTR1A P08908 2/20 0.34
DRD2 P14416 2/20 0.34
HTR2A P28223 2/20 0.34
KCNH2 Q12809 2/20 0.34
CHRM4 P08173 1/20 0.34
DDR1 Q08345 1/20 0.34

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
SCHEMBL484512 0.93 CYP2D6 (0.37) HSD11B1CDK9BDKRB1ACKR3HPGD
SCHEMBL2819857 0.91 HSD11B1 (0.39) HSD11B1CDK9BDKRB1ACKR3HPGD
SCHEMBL484332 0.89 BDKRB1 (0.38) BDKRB1ACKR3HPGDCHRM2CHRM3
SCHEMBL485145 0.87 HSD11B1 (0.40) HSD11B1CDK9BDKRB1ACKR3HPGD
SCHEMBL485515 0.85 CCR3 (0.44) CDK9BDKRB1ACKR3SMN1; SMN2ALDH1A1
SCHEMBL485147 0.85 HSD11B1 (0.36) HSD11B1CDK9BDKRB1ACKR3HPGD
SCHEMBL484986 0.85 LMNA (0.39) BDKRB1ACKR3SMN1; SMN2HTR1ADRD2
SCHEMBL484493 0.85 CYP3A4 (0.48) HPGDSMN1; SMN2ALDH1A1
SCHEMBL2817961 0.85 MRGPRX4 (0.37) HSD11B1SMN1; SMN2ALDH1A1
SCHEMBL484600 0.84 CYP3A4 (0.41) ACKR3HPGDSMN1; SMN2CHRM2CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US claimed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US claimed
EP-2411381-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-02-01 EP claimed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US claimed
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 WO claimed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US 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
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 (2 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 HSD11B1 1789/4885CDK9 1159/4885BDKRB1 1/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN HSD11B1 1789/4885CDK9 1159/4885BDKRB1 1/4885

“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.