SCHEMBL485376

SCHEMBL485376

COc1ccc(CN2CCC3(CC2)CCN(C(=O)c2ccc4c(c2)C(NC(=O)c2cc(Cl)ccc2F)CC4)CC3)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 3/20 0.46
KCNH2 Q12809 3/20 0.46
ATM Q13315 1/20 0.45
MCHR1 Q99705 1/20 0.45
F10 P00742 1/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 3/20 0.41
CYP2D6 P10635 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM3 P20309 1/20 0.41
SPTLC2 O15270 1/20 0.40
CYP2C9 P11712 2/20 0.40
USP2 O75604 1/20 0.40
CYP1A2 P05177 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
CYP3A4 P08684 1/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40

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
SCHEMBL2816342 0.96 MCHR1 (0.44) CCR8KCNH2ATMMCHR1F10
SCHEMBL484783 0.92 CHRM2 (0.45) CCR8KCNH2MCHR1CYP2D6CHRM2
SCHEMBL2818073 0.88 CYP3A4 (0.45) CCR8KCNH2ATMMCHR1TSHR
SCHEMBL2819125 0.88 ACKR3 (0.40) CCR8KCNH2MCHR1CYP2D6CHRM2
SCHEMBL484383 0.88 CCR8 (0.45) CCR8KCNH2ATMTSHRCYP2D6
SCHEMBL485626 0.87 SPTLC2 (0.45) CCR8KCNH2ATMMCHR1TSHR
SCHEMBL485046 0.87 CYP3A4 (0.52) CCR8KCNH2TSHRCYP2D6CHRM2
SCHEMBL2822137 0.87 CYP3A4 (0.41) CCR8KCNH2MCHR1TSHRCYP2D6
SCHEMBL484981 0.86 USP2 (0.54) TSHRCYP2D6CYP2C9USP2CYP1A2
SCHEMBL485374 0.85 CHRM2 (0.38) CCR8KCNH2MCHR1CYP2D6CHRM2

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 CCR8 388/4885KCNH2 257/4885ATM 1414/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CCR8 388/4885KCNH2 257/4885ATM 1414/4885

“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.