SCHEMBL2816320

SCHEMBL2816320

O=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(Cc5ccc6ncccc6c5)CC4)C3)cc21)c1cc(Cl)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
CCR3 P51677 5/20 0.41
LMNA P02545 1/20 0.39
KCNH2 Q12809 1/20 0.38
MET P08581 1/20 0.38
ACKR3 P25106 2/20 0.37
ENPP2 Q13822 1/20 0.37
ATXN2 Q99700 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TAOK1 Q7L7X3 1/20 0.36
TAOK3 Q9H2K8 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM3 P20309 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
SCHEMBL485047 0.96 MCHR1 (0.46) MCHR1SMN1; SMN2CCR3LMNAKCNH2
SCHEMBL484811 0.93 ACKR3 (0.38) MCHR1KCNH2ACKR3ENPP2ATXN2
SCHEMBL484714 0.90 CCR3 (0.44) MCHR1SMN1; SMN2CCR3LMNAACKR3
SCHEMBL484545 0.89 CCR3 (0.42) MCHR1SMN1; SMN2CCR3METACKR3
SCHEMBL484858 0.89 CCR3 (0.43) MCHR1SMN1; SMN2CCR3LMNAACKR3
SCHEMBL2822137 0.89 CYP3A4 (0.41) MCHR1SMN1; SMN2KCNH2ACKR3CYP1A2
SCHEMBL2819125 0.89 ACKR3 (0.40) MCHR1KCNH2ACKR3CYP1A2CYP3A4
SCHEMBL484671 0.88 CCR3 (0.42) MCHR1SMN1; SMN2CCR3CYP1A2CYP3A4
SCHEMBL484926 0.86 CCR3 (0.43) MCHR1SMN1; SMN2CCR3ACKR3TAOK1
SCHEMBL485515 0.85 CCR3 (0.44) MCHR1SMN1; SMN2CCR3LMNAACKR3

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 638/4885SMN1; SMN2 3545/4885CCR3 794/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN MCHR1 638/4885SMN1; SMN2 3545/4885CCR3 794/4885

“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.