SCHEMBL484694

SCHEMBL484694

O=C(NC1CCc2ccc(C(=O)N3CCC4(CC3)CCN(c3ccc(C(F)(F)F)cc3)CC4)cc21)c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
CYP3A4 P08684 8/20 0.48
CYP2D6 P10635 6/20 0.48
CYP1A2 P05177 4/20 0.48
HIF1A Q16665 3/20 0.48
CYP2C9 P11712 6/20 0.45
USP2 O75604 4/20 0.45
HSD17B10 Q99714 5/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 3/20 0.44
MAPK1 P28482 2/20 0.44
ALOX15 P16050 1/20 0.44
TLR7 Q9NYK1 1/20 0.43
RIPK1 Q13546 3/20 0.43
ACACA Q13085 1/20 0.43
CYP2C19 P33261 3/20 0.42

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
SCHEMBL2817074 0.91 CYP2C9 (0.50) TSHRSMN1; SMN2CYP3A4CYP2D6CYP1A2
SCHEMBL484980 0.87 CYP3A4 (0.48) TSHRSMN1; SMN2CYP3A4CYP2D6CYP1A2
SCHEMBL2815790 0.87 CYP2C9 (0.44) TSHRSMN1; SMN2CYP3A4CYP2D6CYP1A2
SCHEMBL2819800 0.87 ITGB3 (0.48) TSHRSMN1; SMN2CYP3A4CYP2D6CYP1A2
SCHEMBL484486 0.86 CYP3A4 (0.47) TSHRSMN1; SMN2CYP3A4CYP2D6CYP1A2
SCHEMBL484316 0.86 CYP3A4 (0.49) TSHRSMN1; SMN2CYP3A4CYP2D6CYP1A2
SCHEMBL2819741 0.85 CYP3A4 (0.47) TSHRCYP3A4CYP2D6CYP1A2HIF1A
SCHEMBL485091 0.84 CYP3A4 (0.48) TSHRSMN1; SMN2CYP3A4CYP2D6CYP1A2
SCHEMBL484628 0.84 CYP3A4 (0.45) TSHRSMN1; SMN2CYP3A4CYP2D6CYP1A2
SCHEMBL2817767 0.84 TSHR (0.47) TSHRSMN1; SMN2CYP3A4CYP2D6CYP1A2

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 TSHR 338/4885SMN1; SMN2 3545/4885CYP3A4 3781/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN TSHR 338/4885SMN1; SMN2 3545/4885CYP3A4 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.