SCHEMBL485178

SCHEMBL485178

O=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(c5ccnc(C(F)(F)F)n5)CC4)C3)cc21)c1ccccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
TSHR P16473 5/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
TAS1R3 Q7RTX0 2/20 0.37
TAS1R1 Q7RTX1 2/20 0.37
TAS1R2 Q8TE23 2/20 0.37
WDR5 P61964 3/20 0.36
CYP3A4 P08684 4/20 0.36
CYP2D6 P10635 3/20 0.36
CYP1A2 P05177 3/20 0.36
CCR2 P41597 2/20 0.36
SPTLC2 O15270 1/20 0.35
HSD17B10 Q99714 3/20 0.35
HPGD P15428 2/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
HIF1A Q16665 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
EPHX2 P34913 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
SCHEMBL484177 0.87 HSD17B10 (0.45) ALDH1A1TSHRSMN1; SMN2TAS1R3TAS1R1
SCHEMBL2816375 0.87 ALDH1A1 (0.38) ALDH1A1TSHRSMN1; SMN2TAS1R3TAS1R1
SCHEMBL2816150 0.87 ALDH1A1 (0.44) ALDH1A1TSHRSMN1; SMN2CYP3A4CYP2D6
SCHEMBL484531 0.85 MEN1 (0.50) ALDH1A1TSHRSMN1; SMN2TAS1R3TAS1R1
SCHEMBL484410 0.85 HCRTR1 (0.42) ALDH1A1TSHRSMN1; SMN2TAS1R3TAS1R1
SCHEMBL485067 0.85 ALDH1A1 (0.45) ALDH1A1TAS1R3TAS1R1TAS1R2SPTLC2
SCHEMBL484724 0.84 CYP3A4 (0.43) ALDH1A1TSHRTAS1R3TAS1R1TAS1R2
SCHEMBL484612 0.83 SPTLC2 (0.38) ALDH1A1TAS1R3TAS1R1TAS1R2WDR5
SCHEMBL2815777 0.83 BDKRB1 (0.45) ALDH1A1TSHRSMN1; SMN2TAS1R3TAS1R1
SCHEMBL2817400 0.83 BDKRB1 (0.45) ALDH1A1TSHRSMN1; SMN2TAS1R3TAS1R1

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 14 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-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

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 ALDH1A1 2086/4885TSHR 338/4885SMN1; SMN2 3545/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN ALDH1A1 2086/4885TSHR 338/4885SMN1; SMN2 3545/4885

“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.