SCHEMBL484857

SCHEMBL484857

CCC(CC)CN1CCC2(CC1)CCN(C(=O)c1ccc3c(c1)C(NC(=O)c1cccc(Cl)c1Cl)CC3)C2

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 8/20 0.41
TAS1R1 Q7RTX1 8/20 0.41
TAS1R2 Q8TE23 7/20 0.41
PDE10A Q9Y233 3/20 0.36
SPTLC2 O15270 1/20 0.36
CYP2D6 P10635 2/20 0.36
CYP3A4 P08684 1/20 0.35
P2RX7 Q99572 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KCNA5 P22460 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL484780 0.93 CYP2D6 (0.44) TAS1R3TAS1R1TAS1R2SPTLC2CYP2D6
SCHEMBL484834 0.89 TAS1R3 (0.36) TAS1R3TAS1R1TAS1R2CYP2D6CYP3A4
SCHEMBL484652 0.88 CYP2D6 (0.40) TAS1R3TAS1R1TAS1R2CYP2D6CYP3A4
SCHEMBL484553 0.88 CYP2D6 (0.49) TAS1R3TAS1R1TAS1R2SPTLC2CYP2D6
SCHEMBL484497 0.86 MRGPRX4 (0.38) CYP3A4
SCHEMBL2817716 0.85 TAS1R3 (0.43) TAS1R3TAS1R1TAS1R2SPTLC2P2RX7
SCHEMBL484646 0.85 TAS1R3 (0.43) TAS1R3TAS1R1TAS1R2CYP2D6CYP3A4
SCHEMBL484832 0.85 ACHE (0.42) TAS1R3TAS1R1TAS1R2CYP2D6CYP3A4
SCHEMBL484426 0.83 CYP2C9 (0.38) TAS1R3TAS1R1TAS1R2CYP2D6CYP3A4
SCHEMBL484393 0.83 TDP1 (0.38) TAS1R3TAS1R1TAS1R2PDE10AALDH1A1

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 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.