SCHEMBL484606

SCHEMBL484606

CN(C)c1ccc(NC(=O)N2CCC3(CC2)CCN(C(=O)c2ccc4c(c2)C(NC(=O)c2ccccc2Cl)CC4)CC3)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.44
NAMPT P43490 7/20 0.42
CYP3A4 P08684 4/20 0.42
USP2 O75604 3/20 0.42
CYP1A2 P05177 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CNR2 P34972 1/20 0.41
EPHX2 P34913 1/20 0.41
TSHR P16473 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
SPTLC2 O15270 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL484814 0.87 TAS1R3 (0.46) CTSSNAMPTCYP3A4USP2CYP1A2
SCHEMBL484828 0.85 EPHX2 (0.46) CTSSCYP3A4USP2CYP1A2ALDH1A1
SCHEMBL484792 0.84 CYP3A4 (0.55) CYP3A4USP2CYP1A2ALDH1A1TSHR
SCHEMBL484356 0.83 ALDH1A1 (0.48) ALDH1A1TAS1R3TAS1R1TAS1R2SPTLC2
SCHEMBL484657 0.83 TAS1R3 (0.44) CTSSNAMPTALDH1A1TAS1R3TAS1R1
SCHEMBL484537 0.83 EPHX2 (0.46) CTSSNAMPTCYP3A4USP2CYP1A2
SCHEMBL484992 0.83 ALDH1A1 (0.46) ALDH1A1CNR2EPHX2TAS1R3TAS1R1
SCHEMBL2815468 0.82 ALDH1A1 (0.47) NAMPTALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL484789 0.82 CYP3A4 (0.43) NAMPTCYP3A4USP2CYP1A2ALDH1A1
SCHEMBL484543 0.82 TAS1R3 (0.44) ALDH1A1TAS1R3TAS1R1TAS1R2SPTLC2

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 CTSS 3024/4885NAMPT 2232/4885CYP3A4 3781/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CTSS 3024/4885NAMPT 2232/4885CYP3A4 3781/4885

“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.