SCHEMBL484378

SCHEMBL484378

CN(C(=O)c1ccccc1Cl)C1CCc2ccc(C(=O)N3CCC4(CCN(C(=O)CC(C)(C)C)CC4)C3)cc21

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
HPGD P15428 2/20 0.35
CYP2D6 P10635 4/20 0.33
HSD11B1 P28845 1/20 0.33
EPHX2 P34913 1/20 0.33
RECQL P46063 1/20 0.33
AR P10275 1/20 0.33
SPR P35270 3/20 0.33
CYP3A4 P08684 2/20 0.33
CYP1A2 P05177 1/20 0.33
DRD2 P14416 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
ENPP2 Q13822 2/20 0.32
ATXN2 Q99700 2/20 0.32
MAPK1 P28482 1/20 0.32
CNR1 P21554 1/20 0.32
PDK2 Q15119 1/20 0.32

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
SCHEMBL485556 0.91 HSD11B1 (0.34) TSHRCYP2D6HSD11B1EPHX2AR
SCHEMBL484855 0.88 HRH3 (0.39) TSHRHPGDCYP2D6HSD11B1RECQL
SCHEMBL484603 0.88 HSD11B1 (0.43) TSHRCYP2D6HSD11B1CYP3A4OPRM1
SCHEMBL2816878 0.87 NAMPT (0.43) TSHRHPGD
SCHEMBL484588 0.85 VNN1 (0.35) TSHRHPGDHSD11B1EPHX2AR
SCHEMBL484273 0.85 HSD11B1 (0.44) TSHRCYP2D6HSD11B1EPHX2RECQL
SCHEMBL484314 0.84 CYP3A4 (0.44) TSHRCYP2D6ARCYP3A4CYP1A2
SCHEMBL484709 0.84 TAS1R3 (0.43) EPHX2
SCHEMBL2819053 0.84 CYP2D6 (0.41) TSHRHPGDCYP2D6RECQLCYP3A4
SCHEMBL485006 0.83 CYP2D6 (0.42) TSHRHPGDCYP2D6RECQLCYP3A4

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 338/4885HPGD 386/4885CYP2D6 1926/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN TSHR 338/4885HPGD 386/4885CYP2D6 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.