SCHEMBL484603

SCHEMBL484603

CN(C(=O)c1ccccc1Cl)C1CCc2ccc(C(=O)N3CCC4(CCN(C(=O)Cc5ccc(Cl)cc5)CC4)C3)cc21

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.43
GHSR Q92847 6/20 0.39
CHRM2 P08172 5/20 0.39
KCNH2 Q12809 2/20 0.39
CYP3A4 P08684 1/20 0.39
HTR2B P41595 1/20 0.39
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
MGLL Q99685 1/20 0.35
ENPP2 Q13822 2/20 0.35
ATXN2 Q99700 2/20 0.35
CCR8 P51685 1/20 0.35
GFER P55789 1/20 0.35
ATM Q13315 1/20 0.35
CYP2D6 P10635 1/20 0.34
TSHR P16473 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
SCHEMBL484378 0.88 TSHR (0.35) HSD11B1CYP3A4OPRM1ENPP2ATXN2
SCHEMBL2816878 0.88 NAMPT (0.43) TSHR
SCHEMBL484855 0.87 HRH3 (0.39) HSD11B1CYP2D6TSHR
SCHEMBL484310 0.86 CYP2D6 (0.42) CHRM2KCNH2CYP3A4SIGMAR1CCR8
SCHEMBL485066 0.83 MCHR1 (0.38) CHRM2KCNH2CYP3A4CCR8CYP2D6
SCHEMBL484273 0.83 HSD11B1 (0.44) HSD11B1CYP3A4MGLLCYP2D6TSHR
SCHEMBL485397 0.83 HSD11B1 (0.44) HSD11B1GHSRCHRM2KCNH2CYP3A4
SCHEMBL484684 0.83 CYP2D6 (0.43) KCNH2CYP3A4CCR8CYP2D6TSHR
SCHEMBL484314 0.83 CYP3A4 (0.44) CYP3A4CYP2D6TSHR
SCHEMBL2819053 0.82 CYP2D6 (0.41) CYP3A4CYP2D6TSHR

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 1789/4885GHSR 77/4885CHRM2 561/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN HSD11B1 1789/4885GHSR 77/4885CHRM2 561/4885

“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.