SCHEMBL485418

SCHEMBL485418

COc1ccc(CN2CCC3(CC2)CCN(C(=O)c2ccc4c(c2)C(NC(=O)c2sccc2Cl)CC4)C3)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
POLB P06746 1/20 0.38
ATM Q13315 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
KCNH2 Q12809 2/20 0.38
CCR8 P51685 1/20 0.38
MCHR1 Q99705 2/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
TSHR P16473 4/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 3/20 0.36
CYP1A2 P05177 2/20 0.36
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP3A4 P08684 4/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL485626 0.88 SPTLC2 (0.45) TAS1R3TAS1R1ATMHCRTR1HCRTR2
SCHEMBL2816342 0.87 MCHR1 (0.44) TAS1R3TAS1R1POLBATMHCRTR1
SCHEMBL2815775 0.86 CYP2D6 (0.38) KCNH2CCR8TSHRCYP2D6CYP2C9
SCHEMBL2818005 0.85 MRGPRX4 (0.42) TAS1R3TAS1R1POLBMCHR1HDAC1
SCHEMBL484715 0.85 MGLL (0.38) KCNH2MCHR1TSHRCYP2D6CYP2C9
SCHEMBL484734 0.85 USP2 (0.46) TSHRCYP2D6CYP2C9CYP1A2USP2
SCHEMBL484383 0.83 CCR8 (0.45) TAS1R3TAS1R1ATMHCRTR1HCRTR2
SCHEMBL485376 0.83 CCR8 (0.46) TAS1R3TAS1R1POLBATMHCRTR1
SCHEMBL484926 0.83 CCR3 (0.43) MCHR1SMN1; SMN2
SCHEMBL2817507 0.81 CYP3A4 (0.51) KCNH2CCR8TSHRCYP2D6CYP2C9

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
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
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US 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 107/4885POLB 4589/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN TAS1R3 339/4885TAS1R1 107/4885POLB 4589/4885

“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.