SCHEMBL484744

SCHEMBL484744

O=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(Cc5csnn5)CC4)C3)cc21)c1ccccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 4/20 0.39
TAS1R1 Q7RTX1 4/20 0.39
TAS1R2 Q8TE23 4/20 0.39
CYP2D6 P10635 5/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 3/20 0.38
USP2 O75604 2/20 0.38
TSHR P16473 1/20 0.38
ACKR3 P25106 1/20 0.37
SPTLC2 O15270 6/20 0.37
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
KCNH2 Q12809 1/20 0.36
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL484430 0.89 CYP3A4 (0.39) CYP2D6ALDH1A1CYP3A4USP2TSHR
SCHEMBL2819196 0.85 CYP3A4 (0.43) CYP2D6ALDH1A1CYP3A4USP2TSHR
SCHEMBL485641 0.85 TAS1R3 (0.38) TAS1R3TAS1R1TAS1R2ALDH1A1ACKR3
SCHEMBL484725 0.85 CYP2D6 (0.41) TAS1R3TAS1R1TAS1R2CYP2D6CYP3A4
SCHEMBL484626 0.84 CYP2D6 (0.39) CYP2D6CYP3A4USP2TSHRACKR3
SCHEMBL484446 0.84 TAS1R3 (0.43) TAS1R3TAS1R1TAS1R2CYP2D6ALDH1A1
SCHEMBL484702 0.83 TAS1R3 (0.43) TAS1R3TAS1R1TAS1R2CYP2D6ALDH1A1
SCHEMBL484721 0.83 ALDH1A1 (0.42) TAS1R3TAS1R1TAS1R2CYP2D6ALDH1A1
SCHEMBL484785 0.83 ACKR3 (0.40) TAS1R3TAS1R1TAS1R2CYP2D6ALDH1A1
SCHEMBL484732 0.83 CYP3A4 (0.48) CYP2D6ALDH1A1CYP3A4USP2TSHR

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 TAS1R3 339/4885TAS1R1 107/4885TAS1R2 282/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN TAS1R3 339/4885TAS1R1 107/4885TAS1R2 282/4885

“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.