SCHEMBL484759

SCHEMBL484759

O=C(Nc1ccc(Cl)c(Cl)c1)NC1CCc2ccc(C(=O)N3CCC4(CC3)CCN(c3ccc(C(F)(F)F)cc3)CC4)cc21

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.45
CYP3A4 P08684 2/20 0.43
TSHR P16473 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
HIF1A Q16665 1/20 0.43
NPY2R P49146 1/20 0.42
FPR2 P25090 6/20 0.42
FPR1 P21462 3/20 0.41
NAMPT P43490 1/20 0.41
EPHX2 P34913 5/20 0.41

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
SCHEMBL484193 0.90 CYP3A4 (0.48) TRPV1CYP3A4TSHRCYP1A2CYP2D6
SCHEMBL14988084 0.86 CYP3A4 (0.42) TRPV1CYP3A4TSHRCYP1A2CYP2D6
SCHEMBL484341 0.86 CYP2C9 (0.43) TRPV1CYP3A4TSHRCYP1A2CYP2D6
SCHEMBL484417 0.85 CYP3A4 (0.45) CYP3A4TSHRCYP1A2CYP2D6HIF1A
SCHEMBL2816491 0.84 CYP3A4 (0.44) CYP3A4TSHRCYP1A2CYP2D6HIF1A
SCHEMBL484486 0.84 CYP3A4 (0.47) CYP3A4TSHRCYP1A2CYP2D6HIF1A
SCHEMBL484259 0.84 CYP3A4 (0.43) CYP3A4TSHRCYP1A2CYP2D6HIF1A
SCHEMBL484980 0.83 CYP3A4 (0.48) CYP3A4TSHRCYP1A2CYP2D6HIF1A
SCHEMBL484237 0.83 CYP3A4 (0.44) CYP3A4TSHRCYP1A2CYP2D6HIF1A
SCHEMBL484920 0.83 CYP3A4 (0.44) CYP3A4TSHRCYP1A2CYP2D6HIF1A

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 8 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
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 TRPV1 331/4885CYP3A4 3781/4885TSHR 338/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN TRPV1 331/4885CYP3A4 3781/4885TSHR 338/4885

“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.