SCHEMBL484764

SCHEMBL484764

O=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(Cc5cc(F)ccc5F)CC4)C3)cc21)c1cc(C(F)(F)F)ccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 7/20 0.40
CRHR2 Q13324 1/20 0.40
CYP3A4 P08684 5/20 0.39
FAAH O00519 1/20 0.38
TSHR P16473 5/20 0.37
USP2 O75604 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
CYP2D6 P10635 4/20 0.37
ALDH1A1 P00352 3/20 0.36
CYP1A2 P05177 1/20 0.36
PDE10A Q9Y233 1/20 0.36
MGLL Q99685 1/20 0.36
HIF1A Q16665 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
SCHEMBL2816296 0.96 CYP3A4 (0.43) CRHR1CRHR2CYP3A4TSHRUSP2
SCHEMBL484520 0.95 CRHR1 (0.40) CRHR1CRHR2CYP3A4FAAHTSHR
SCHEMBL2816529 0.91 CYP3A4 (0.43) CRHR1CRHR2CYP3A4FAAHTSHR
SCHEMBL484593 0.90 MRGPRX4 (0.40) CYP3A4TSHRUSP2SMN1; SMN2MRGPRX4
SCHEMBL2816409 0.90 CYP3A4 (0.43) CRHR1CRHR2CYP3A4FAAHTSHR
SCHEMBL484741 0.90 CYP2D6 (0.42) CYP3A4TSHRCYP2D6ALDH1A1CYP1A2
SCHEMBL484919 0.89 CYP3A4 (0.40) CRHR1CRHR2CYP3A4TSHRUSP2
SCHEMBL2817175 0.88 CRHR1 (0.42) CRHR1CRHR2CYP3A4TSHRUSP2
SCHEMBL2818005 0.86 MRGPRX4 (0.42) CRHR1CRHR2CYP3A4TSHRUSP2
SCHEMBL484813 0.86 USP2 (0.39) CRHR1CYP3A4FAAHTSHRUSP2

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 CRHR1 166/4885CRHR2 529/4885CYP3A4 3781/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CRHR1 166/4885CRHR2 529/4885CYP3A4 3781/4885

“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.