SCHEMBL484737

SCHEMBL484737

O=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(C(=O)c5ccc(F)cc5Cl)CC4)C3)cc21)c1ccccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.45
ALDH1A1 P00352 1/20 0.42
NPC1 O15118 1/20 0.42
TAS1R3 Q7RTX0 2/20 0.41
TAS1R1 Q7RTX1 2/20 0.41
TAS1R2 Q8TE23 2/20 0.41
EPHX2 P34913 1/20 0.40
HPGD P15428 1/20 0.40
UBE2M P61081 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.40
SPTLC2 O15270 1/20 0.39
NAMPT P43490 2/20 0.39
TSHR P16473 3/20 0.39
CYP3A4 P08684 2/20 0.39
MAPK1 P28482 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK10 P53779 1/20 0.38
SLC9A1 P19634 1/20 0.38

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
SCHEMBL484640 0.96 HSD11B1 (0.47) HSD11B1ALDH1A1NPC1TAS1R3TAS1R1
SCHEMBL484382 0.95 ALDH1A1 (0.42) HSD11B1ALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL484743 0.91 ALDH1A1 (0.43) HSD11B1ALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL2816161 0.89 ALDH1A1 (0.42) HSD11B1ALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL484286 0.89 CYP2D6 (0.41) ALDH1A1NPC1TAS1R3TAS1R1TAS1R2
SCHEMBL485067 0.87 ALDH1A1 (0.45) ALDH1A1TAS1R3TAS1R1TAS1R2EPHX2
SCHEMBL485175 0.87 HSD11B1 (0.41) HSD11B1ALDH1A1NPC1HPGDUBE2M
SCHEMBL484473 0.87 ALDH1A1 (0.46) HSD11B1ALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL484741 0.87 CYP2D6 (0.42) ALDH1A1TAS1R3TAS1R1TAS1R2HPGD
SCHEMBL484790 0.87 CYP2D6 (0.40) ALDH1A1TAS1R3TAS1R1TAS1R2HPGD

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 HSD11B1 1789/4885ALDH1A1 2086/4885NPC1 1121/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN HSD11B1 1789/4885ALDH1A1 2086/4885NPC1 1121/4885

“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.