SCHEMBL484177

SCHEMBL484177

O=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(c5ccccn5)CC4)C3)cc21)c1ccccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 14/20 0.45
ALDH1A1 P00352 14/20 0.45
CYP3A4 P08684 12/20 0.45
TSHR P16473 10/20 0.45
HPGD P15428 9/20 0.45
SMN1; SMN2 Q16637 7/20 0.45
CYP2D6 P10635 7/20 0.45
CYP1A2 P05177 9/20 0.45
CYP2C9 P11712 8/20 0.45
CYP2C19 P33261 6/20 0.45
MAPK1 P28482 4/20 0.45
KDM4E B2RXH2 1/20 0.44
ALOX15 P16050 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 1/20 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
SCHEMBL484531 0.92 MEN1 (0.50) HSD17B10ALDH1A1CYP3A4TSHRHPGD
SCHEMBL484199 0.88 BDKRB1 (0.45) HSD17B10ALDH1A1CYP3A4TSHRSMN1; SMN2
SCHEMBL2815777 0.88 BDKRB1 (0.45) HSD17B10ALDH1A1CYP3A4TSHRSMN1; SMN2
SCHEMBL2817400 0.88 BDKRB1 (0.45) HSD17B10ALDH1A1CYP3A4TSHRSMN1; SMN2
SCHEMBL2816150 0.88 ALDH1A1 (0.44) HSD17B10ALDH1A1CYP3A4TSHRHPGD
SCHEMBL485178 0.87 ALDH1A1 (0.38) HSD17B10ALDH1A1CYP3A4TSHRHPGD
SCHEMBL2820727 0.87 ALDH1A1 (0.43) ALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL484909 0.87 WDR5 (0.41) ALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL13131315 0.86 ALDH1A1 (0.41) ALDH1A1CYP3A4TSHRSMN1; SMN2CYP2D6
SCHEMBL484447 0.86 ALDH1A1 (0.41) ALDH1A1CYP3A4TSHRSMN1; SMN2CYP2D6

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 16 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
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
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
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 HSD17B10 4072/4885ALDH1A1 2086/4885CYP3A4 3781/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN HSD17B10 4072/4885ALDH1A1 2086/4885CYP3A4 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.