SCHEMBL484715

SCHEMBL484715

O=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(Cc5ccc6nccnc6c5)CC4)C3)cc21)c1sccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.38
CYP3A4 P08684 10/20 0.36
CYP2C9 P11712 8/20 0.36
CYP2C19 P33261 5/20 0.36
CYP1A2 P05177 4/20 0.36
TSHR P16473 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CXCR4 P61073 1/20 0.35
CYP2D6 P10635 7/20 0.35
USP2 O75604 3/20 0.35
ALDH1A1 P00352 3/20 0.35
CCR3 P51677 1/20 0.35
MCHR1 Q99705 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HIF1A Q16665 1/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL484926 0.93 CCR3 (0.43) MGLLSMN1; SMN2CCR3MCHR1ACKR3
SCHEMBL484734 0.88 USP2 (0.46) CYP3A4CYP2C9CYP2C19CYP1A2TSHR
SCHEMBL484785 0.88 ACKR3 (0.40) CYP3A4CYP2C9CYP2C19CYP1A2TSHR
SCHEMBL2817507 0.86 CYP3A4 (0.51) CYP3A4CYP2C9CYP2C19CYP1A2TSHR
SCHEMBL485317 0.86 ACKR3 (0.39) CYP3A4CYP2C9CYP2C19CYP1A2TSHR
SCHEMBL485418 0.85 TAS1R3 (0.39) CYP3A4CYP2C9CYP1A2TSHRSMN1; SMN2
SCHEMBL484332 0.85 BDKRB1 (0.38) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL484843 0.85 CYP2D6 (0.41) CYP3A4CYP2C9CYP2C19CYP1A2TSHR
SCHEMBL484811 0.85 ACKR3 (0.38) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL484361 0.84 MRGPRX4 (0.40) CYP3A4CYP2C9CYP2C19CYP1A2TSHR

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
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US 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 MGLL 4622/4885CYP3A4 3781/4885CYP2C9 2259/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN MGLL 4622/4885CYP3A4 3781/4885CYP2C9 2259/4885

“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.