SCHEMBL485147

SCHEMBL485147

Cn1nnc2cc(CN3CCC4(CC3)CCN(C(=O)c3ccc5c(c3)C(NC(=O)c3cc(Cl)ccc3F)CC5)C4)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.36
DRD2 P14416 2/20 0.35
HTR1A P08908 1/20 0.35
HTR2A P28223 1/20 0.35
KCNH2 Q12809 1/20 0.35
HPGD P15428 3/20 0.35
ACKR3 P25106 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
BDKRB1 P46663 3/20 0.34
CDK9 P50750 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM3 P20309 1/20 0.34
MCHR1 Q99705 1/20 0.34
KDM1A O60341 1/20 0.34
CHRM4 P08173 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 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
SCHEMBL485374 0.96 CHRM2 (0.38) HSD11B1DRD2HTR1AHTR2AKCNH2
SCHEMBL484512 0.89 CYP2D6 (0.37) HSD11B1HPGDACKR3SMN1; SMN2BDKRB1
SCHEMBL2819857 0.89 HSD11B1 (0.39) HSD11B1DRD2HTR1AHTR2AKCNH2
SCHEMBL484811 0.88 ACKR3 (0.38) DRD2HTR1AHTR2AKCNH2HPGD
SCHEMBL2819125 0.88 ACKR3 (0.40) DRD2HTR1AHTR2AKCNH2HPGD
SCHEMBL2817961 0.88 MRGPRX4 (0.37) HSD11B1SMN1; SMN2MCHR2
SCHEMBL485010 0.85 HSD11B1 (0.37) HSD11B1DRD2HTR1AHTR2AKCNH2
SCHEMBL2816342 0.85 MCHR1 (0.44) KCNH2MCHR1
SCHEMBL485145 0.85 HSD11B1 (0.40) HSD11B1KCNH2HPGDACKR3SMN1; SMN2
SCHEMBL2822137 0.84 CYP3A4 (0.41) DRD2HTR1AHTR2AKCNH2ACKR3

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 1789/4885DRD2 520/4885HTR1A 610/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN HSD11B1 1789/4885DRD2 520/4885HTR1A 610/4885

“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.