SCHEMBL484699

SCHEMBL484699

O=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(Cc5c[nH]cn5)CC4)C3)cc21)c1cc(C(F)(F)F)ccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.38
CRHR1 P34998 13/20 0.38
CRHR2 Q13324 1/20 0.36
USP2 O75604 4/20 0.36
CYP3A4 P08684 3/20 0.36
TSHR P16473 3/20 0.36
CYP2C9 P11712 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FAAH O00519 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL484958 0.96 USP2 (0.40) CRHR1CRHR2USP2CYP3A4TSHR
SCHEMBL484430 0.88 CYP3A4 (0.39) MRGPRX4CRHR1CRHR2USP2CYP3A4
SCHEMBL2819142 0.87 CRHR1 (0.38) MRGPRX4CRHR1CRHR2USP2
SCHEMBL484361 0.86 MRGPRX4 (0.40) MRGPRX4CRHR1USP2CYP3A4TSHR
SCHEMBL484919 0.86 CYP3A4 (0.40) MRGPRX4CRHR1CRHR2USP2CYP3A4
SCHEMBL2818249 0.85 NAMPT (0.41) MRGPRX4CRHR1CRHR2KMT2A
SCHEMBL485274 0.85 USP2 (0.43) CRHR1USP2CYP3A4TSHRCYP2C9
SCHEMBL484593 0.85 MRGPRX4 (0.40) MRGPRX4USP2CYP3A4TSHRCYP2C9
SCHEMBL2818735 0.85 CRHR1 (0.40) MRGPRX4CRHR1USP2CYP3A4TSHR
SCHEMBL2818049 0.85 CRHR1 (0.41) MRGPRX4CRHR1CRHR2FAAH

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 MRGPRX4 24/4885CRHR1 166/4885CRHR2 529/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN MRGPRX4 24/4885CRHR1 166/4885CRHR2 529/4885

“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.