SCHEMBL484545

SCHEMBL484545

O=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(Cc5ccc6ncccc6c5)CC4)C3)cc21)c1c(F)cccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 6/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CYP2D6 P10635 7/20 0.39
CYP3A4 P08684 6/20 0.39
CYP1A2 P05177 4/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 2/20 0.39
ACKR3 P25106 3/20 0.39
USP2 O75604 4/20 0.38
HPGD P15428 3/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
MCHR1 Q99705 1/20 0.36
MET P08581 1/20 0.36
TAOK1 Q7L7X3 1/20 0.36
TAOK3 Q9H2K8 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
SCHEMBL484843 0.94 CYP2D6 (0.41) CCR3SMN1; SMN2CYP2D6CYP3A4CYP1A2
SCHEMBL485515 0.92 CCR3 (0.44) CCR3SMN1; SMN2ACKR3ALDH1A1MCHR1
SCHEMBL484858 0.90 CCR3 (0.43) CCR3SMN1; SMN2ACKR3MCHR1TAOK1
SCHEMBL484714 0.90 CCR3 (0.44) CCR3SMN1; SMN2ACKR3MCHR1TAOK1
SCHEMBL2816320 0.89 MCHR1 (0.45) CCR3SMN1; SMN2CYP2D6CYP3A4CYP1A2
SCHEMBL484926 0.87 CCR3 (0.43) CCR3SMN1; SMN2ACKR3MCHR1TAOK1
SCHEMBL484332 0.86 BDKRB1 (0.38) CCR3CYP2D6CYP3A4CYP1A2CYP2C9
SCHEMBL484552 0.86 SMN1; SMN2 (0.43) CCR3SMN1; SMN2CYP2D6CYP3A4CYP1A2
SCHEMBL484671 0.86 CCR3 (0.42) CCR3SMN1; SMN2CYP2D6CYP3A4CYP1A2
SCHEMBL484363 0.86 CYP3A4 (0.53) SMN1; SMN2CYP2D6CYP3A4CYP1A2CYP2C9

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 CCR3 794/4885SMN1; SMN2 3545/4885CYP2D6 1926/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CCR3 794/4885SMN1; SMN2 3545/4885CYP2D6 1926/4885

“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.