SCHEMBL485047

SCHEMBL485047

O=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(Cc5ccc6ncccc6c5)CC4)CC3)cc21)c1cc(Cl)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
CCR3 P51677 7/20 0.41
CYP2D6 P10635 4/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM3 P20309 1/20 0.41
LMNA P02545 1/20 0.39
KCNH2 Q12809 2/20 0.39
CCR8 P51685 1/20 0.39
MAPK1 P28482 1/20 0.39
ACKR3 P25106 2/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL2816320 0.96 MCHR1 (0.45) MCHR1SMN1; SMN2CCR3CYP2D6CYP3A4
SCHEMBL2822137 0.93 CYP3A4 (0.41) MCHR1SMN1; SMN2CYP2D6CYP3A4CYP2C19
SCHEMBL484552 0.89 SMN1; SMN2 (0.43) MCHR1SMN1; SMN2CCR3CYP2D6CYP3A4
SCHEMBL484811 0.89 ACKR3 (0.38) MCHR1CYP2D6CYP3A4CYP2C19CYP1A2
SCHEMBL484783 0.88 CHRM2 (0.45) MCHR1CYP2D6CYP3A4CYP2C19CYP1A2
SCHEMBL485046 0.88 CYP3A4 (0.52) SMN1; SMN2CYP2D6CYP3A4CYP2C19CYP1A2
SCHEMBL484812 0.87 USP2 (0.42) MCHR1SMN1; SMN2CCR3CYP2D6CYP3A4
SCHEMBL484580 0.86 HTR1A (0.43) SMN1; SMN2CYP2D6CYP3A4CYP2C19CYP1A2
SCHEMBL484714 0.86 CCR3 (0.44) MCHR1SMN1; SMN2CCR3LMNAACKR3
SCHEMBL484545 0.85 CCR3 (0.42) MCHR1SMN1; SMN2CCR3CYP2D6CYP3A4

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 8 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
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US 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 MCHR1 638/4885SMN1; SMN2 3545/4885CCR3 794/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN MCHR1 638/4885SMN1; SMN2 3545/4885CCR3 794/4885

“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.