SCHEMBL484273

SCHEMBL484273

CN(C(=O)c1ccccc1Cl)C1CCc2ccc(C(=O)N3CCC4(CCN(C(=O)c5ccc(F)cc5Cl)CC4)C3)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.44
NPC1 O15118 1/20 0.41
CYP2D6 P10635 8/20 0.39
TSHR P16473 3/20 0.39
MAPK1 P28482 2/20 0.38
RECQL P46063 1/20 0.38
EPHX2 P34913 1/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 1/20 0.38
UBE2M P61081 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
ALDH1A1 P00352 3/20 0.37
CYP3A4 P08684 4/20 0.37
HSD17B10 Q99714 1/20 0.37
P2RX7 Q99572 1/20 0.37
USP2 O75604 3/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
MGLL Q99685 1/20 0.36
CYP1A2 P05177 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL485749 0.91 HSD11B1 (0.43) HSD11B1NPC1CYP2D6TSHRMAPK1
SCHEMBL484855 0.88 HRH3 (0.39) HSD11B1CYP2D6TSHRRECQLTRPM8
SCHEMBL485006 0.88 CYP2D6 (0.42) CYP2D6TSHRMAPK1RECQLCYP2C19
SCHEMBL484684 0.88 CYP2D6 (0.43) CYP2D6TSHRMAPK1RECQLCYP2C19
SCHEMBL2816878 0.87 NAMPT (0.43) TSHR
SCHEMBL485044 0.87 HSD11B1 (0.42) HSD11B1CYP2D6TSHRMAPK1CYP2C19
SCHEMBL2816003 0.87 CYP3A4 (0.47) HSD11B1CYP2D6TSHRMAPK1CYP2C19
SCHEMBL484380 0.86 HSD11B1 (0.40) HSD11B1CYP2D6TSHRMAPK1RECQL
SCHEMBL2819053 0.85 CYP2D6 (0.41) NPC1CYP2D6TSHRMAPK1RECQL
SCHEMBL484378 0.85 TSHR (0.35) HSD11B1CYP2D6TSHRMAPK1RECQL

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 1789/4885NPC1 1121/4885CYP2D6 1926/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN HSD11B1 1789/4885NPC1 1121/4885CYP2D6 1926/4885

“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.