SCHEMBL2816342

SCHEMBL2816342

COc1ccc(CN2CCC3(CC2)CCN(C(=O)c2ccc4c(c2)C(NC(=O)c2cc(Cl)ccc2F)CC4)C3)cc1F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.44
ATM Q13315 1/20 0.42
CCR8 P51685 2/20 0.42
KCNH2 Q12809 2/20 0.42
POLB P06746 1/20 0.41
SPTLC2 O15270 1/20 0.39
F10 P00742 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
PDE10A Q9Y233 2/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
LMNA P02545 2/20 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
SCHEMBL485376 0.96 CCR8 (0.46) MCHR1ATMCCR8KCNH2POLB
SCHEMBL2819125 0.92 ACKR3 (0.40) MCHR1CCR8KCNH2
SCHEMBL485626 0.91 SPTLC2 (0.45) MCHR1ATMCCR8KCNH2SPTLC2
SCHEMBL2818005 0.88 MRGPRX4 (0.42) MCHR1POLBTAS1R3TAS1R1PDE10A
SCHEMBL484783 0.88 CHRM2 (0.45) MCHR1CCR8KCNH2
SCHEMBL485418 0.87 TAS1R3 (0.39) MCHR1ATMCCR8KCNH2POLB
SCHEMBL484811 0.87 ACKR3 (0.38) MCHR1CCR8KCNH2
SCHEMBL484372 0.87 CYP3A4 (0.49)
SCHEMBL485147 0.85 HSD11B1 (0.36) MCHR1KCNH2
SCHEMBL484589 0.85 CYP3A4 (0.45) CCR8KCNH2

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 6 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
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 MCHR1 638/4885ATM 1414/4885CCR8 388/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN MCHR1 638/4885ATM 1414/4885CCR8 388/4885

“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.