SCHEMBL484529

SCHEMBL484529

COc1cccc(F)c1CN1CCC2(CC1)CCN(C(=O)c1ccc3c(c1)C(NC(=O)c1ccccc1Cl)CC3)CC2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 6/20 0.48
ACHE P22303 1/20 0.47
SPTLC2 O15270 7/20 0.47
CCR8 P51685 2/20 0.44
KCNH2 Q12809 2/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
USP2 O75604 2/20 0.43
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
ADRA1A P35348 1/20 0.42
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
PDE10A Q9Y233 1/20 0.41

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
SCHEMBL484425 0.96 ACHE (0.46) CYP2D6ACHESPTLC2CCR8KCNH2
SCHEMBL484548 0.94 CYP2D6 (0.45) CYP2D6ACHESPTLC2CCR8KCNH2
SCHEMBL485311 0.93 CYP2D6 (0.44) CYP2D6ACHESPTLC2CCR8KCNH2
SCHEMBL485201 0.92 CYP2D6 (0.48) CYP2D6ACHECCR8KCNH2TAS1R3
SCHEMBL2820068 0.91 USP2 (0.46) CYP2D6ACHESPTLC2CCR8KCNH2
SCHEMBL484446 0.89 TAS1R3 (0.43) CYP2D6ACHESPTLC2TAS1R3TAS1R1
SCHEMBL484702 0.89 TAS1R3 (0.43) CYP2D6ACHESPTLC2TAS1R3TAS1R1
SCHEMBL484806 0.89 ACHE (0.43) CYP2D6ACHECCR8KCNH2TAS1R3
SCHEMBL485310 0.87 CYP2D6 (0.46) CYP2D6SPTLC2CCR8KCNH2TAS1R3
SCHEMBL2817175 0.87 CRHR1 (0.42) CYP2D6ACHESPTLC2CCR8KCNH2

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 CYP2D6 1926/4885ACHE 3999/4885SPTLC2 3707/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CYP2D6 1926/4885ACHE 3999/4885SPTLC2 3707/4885

“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.