SCHEMBL2818249

SCHEMBL2818249

O=C(NC1CCc2ccc(C(=O)N3CCC4(CCNCC4)C3)cc21)c1cc(C(F)(F)F)ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
KMT2A Q03164 1/20 0.38
CCR2 P41597 1/20 0.38
CRHR1 P34998 12/20 0.38
CRHR2 Q13324 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL2815110 0.95 KMT2A (0.41) KMT2ACCR2CRHR1
SCHEMBL484618 0.88 TSHR (0.46) MRGPRX4KMT2ACCR2CRHR1PDE4A
SCHEMBL484912 0.88 CYP3A4 (0.47) MRGPRX4
SCHEMBL485102 0.87 NAMPT (0.46) NAMPTL3MBTL3L3MBTL1
SCHEMBL484517 0.87 CRHR1 (0.42) CRHR1CRHR2
SCHEMBL484497 0.86 MRGPRX4 (0.38) MRGPRX4KMT2ACCR2CRHR1CRHR2
SCHEMBL484910 0.86 USP2 (0.52) MRGPRX4KMT2A
SCHEMBL484919 0.86 CYP3A4 (0.40) MRGPRX4KMT2ACRHR1CRHR2
SCHEMBL485032 0.86 USP2 (0.42) MRGPRX4CRHR1
SCHEMBL484699 0.85 MRGPRX4 (0.38) MRGPRX4KMT2ACRHR1CRHR2

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 disclosed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
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-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 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
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US 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 NAMPT 2232/4885MRGPRX4 24/4885KMT2A 2136/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN NAMPT 2232/4885MRGPRX4 24/4885KMT2A 2136/4885

“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.