SCHEMBL484552

SCHEMBL484552

O=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(Cc5ccc6ncccc6c5)CC4)CC3)cc21)c1cccc(Cl)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
CCR3 P51677 9/20 0.43
ACKR3 P25106 3/20 0.41
MCHR1 Q99705 1/20 0.41
CYP2D6 P10635 3/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CHRM2 P08172 2/20 0.39
CHRM3 P20309 1/20 0.39
TSHR P16473 1/20 0.38
CCR8 P51685 1/20 0.38
KCNH2 Q12809 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL484858 0.96 CCR3 (0.43) SMN1; SMN2CCR3ACKR3MCHR1
SCHEMBL484557 0.93 CYP2D6 (0.41) SMN1; SMN2ACKR3MCHR1CYP2D6CYP3A4
SCHEMBL484714 0.91 CCR3 (0.44) SMN1; SMN2CCR3ACKR3MCHR1
SCHEMBL485317 0.89 ACKR3 (0.39) CCR3ACKR3MCHR1CYP2D6CYP3A4
SCHEMBL485047 0.89 MCHR1 (0.46) SMN1; SMN2CCR3ACKR3MCHR1CYP2D6
SCHEMBL484812 0.88 USP2 (0.42) SMN1; SMN2CCR3MCHR1CYP2D6CYP3A4
SCHEMBL484545 0.86 CCR3 (0.42) SMN1; SMN2CCR3ACKR3MCHR1CYP2D6
SCHEMBL485515 0.86 CCR3 (0.44) SMN1; SMN2CCR3ACKR3MCHR1
SCHEMBL2816320 0.85 MCHR1 (0.45) SMN1; SMN2CCR3ACKR3MCHR1CYP2D6
SCHEMBL485145 0.84 HSD11B1 (0.40) SMN1; SMN2ACKR3MCHR1CYP2D6CYP3A4

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 SMN1; SMN2 3545/4885CCR3 794/4885ACKR3 90/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN SMN1; SMN2 3545/4885CCR3 794/4885ACKR3 90/4885

“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.