SCHEMBL485317

SCHEMBL485317

O=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(Cc5ccc6nccnc6c5)CC4)C3)cc21)c1cccc(Cl)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 2/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
MCHR1 Q99705 1/20 0.38
CYP2D6 P10635 5/20 0.37
CYP3A4 P08684 4/20 0.37
CYP2C9 P11712 3/20 0.37
CYP2C19 P33261 3/20 0.37
CYP1A2 P05177 2/20 0.37
BDKRB1 P46663 6/20 0.37
CHRM2 P08172 1/20 0.37
CHRM3 P20309 1/20 0.37
RIPK1 Q13546 1/20 0.37
CCR3 P51677 1/20 0.36
USP2 O75604 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
AURKA O14965 1/20 0.36
CCR8 P51685 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
SCHEMBL484557 0.96 CYP2D6 (0.41) ACKR3TAS1R3TAS1R1TAS1R2MCHR1
SCHEMBL484785 0.94 ACKR3 (0.40) ACKR3TAS1R3TAS1R1TAS1R2MCHR1
SCHEMBL484858 0.93 CCR3 (0.43) ACKR3TAS1R3TAS1R1TAS1R2MCHR1
SCHEMBL484843 0.89 CYP2D6 (0.41) ACKR3CYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL484332 0.89 BDKRB1 (0.38) ACKR3MCHR1CYP2D6CYP3A4CYP2C9
SCHEMBL484552 0.89 SMN1; SMN2 (0.43) ACKR3MCHR1CYP2D6CYP3A4CYP2C9
SCHEMBL2819857 0.88 HSD11B1 (0.39) ACKR3TAS1R3TAS1R1TAS1R2MCHR1
SCHEMBL484714 0.88 CCR3 (0.44) ACKR3TAS1R3TAS1R1TAS1R2MCHR1
SCHEMBL484811 0.88 ACKR3 (0.38) ACKR3MCHR1CYP2D6CYP3A4CYP2C9
SCHEMBL484361 0.87 MRGPRX4 (0.40) CYP2D6CYP3A4CYP2C9CYP2C19CYP1A2

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 ACKR3 90/4885TAS1R3 339/4885TAS1R1 107/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN ACKR3 90/4885TAS1R3 339/4885TAS1R1 107/4885

“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.