SCHEMBL485145

SCHEMBL485145

Cn1nnc2cc(CN3CCC4(CC3)CCN(C(=O)c3ccc5c(c3)C(NC(=O)c3cccc(Cl)c3Cl)CC5)CC4)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.40
CHRM2 P08172 2/20 0.38
CHRM3 P20309 2/20 0.38
HPGD P15428 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CDK9 P50750 1/20 0.38
ACKR3 P25106 1/20 0.37
CYP2D6 P10635 3/20 0.37
CYP3A4 P08684 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CCR8 P51685 2/20 0.37
KCNH2 Q12809 2/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
MCHR1 Q99705 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
SCHEMBL2819857 0.96 HSD11B1 (0.39) HSD11B1CHRM2CHRM3HPGDSMN1; SMN2
SCHEMBL485374 0.88 CHRM2 (0.38) HSD11B1CHRM2CHRM3HPGDSMN1; SMN2
SCHEMBL484557 0.88 CYP2D6 (0.41) CHRM2CHRM3SMN1; SMN2ACKR3CYP2D6
SCHEMBL2815796 0.87 CYP3A4 (0.40) HSD11B1HPGDSMN1; SMN2CYP2D6CYP3A4
SCHEMBL485010 0.87 HSD11B1 (0.37) HSD11B1CHRM2CHRM3HPGDSMN1; SMN2
SCHEMBL484512 0.86 CYP2D6 (0.37) HSD11B1HPGDSMN1; SMN2CDK9ACKR3
SCHEMBL485147 0.85 HSD11B1 (0.36) HSD11B1CHRM2CHRM3HPGDSMN1; SMN2
SCHEMBL484552 0.84 SMN1; SMN2 (0.43) CHRM2CHRM3SMN1; SMN2ACKR3CYP2D6
SCHEMBL485317 0.84 ACKR3 (0.39) CHRM2CHRM3HPGDACKR3CYP2D6
SCHEMBL2817961 0.84 MRGPRX4 (0.37) HSD11B1SMN1; SMN2CYP2D6CYP3A4CYP1A2

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 1789/4885CHRM2 561/4885CHRM3 903/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN HSD11B1 1789/4885CHRM2 561/4885CHRM3 903/4885

“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.