SCHEMBL486049

SCHEMBL486049

O=C(c1ccc2c(c1)C(N(C(=O)c1ccccc1Cl)C1CC1)CC2)N1CCC2(CCN(C(=O)C3CC3)CC2)C1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.39
HRH3 Q9Y5N1 2/20 0.39
PDK2 Q15119 4/20 0.36
PARP1 P09874 1/20 0.36
EPHX2 P34913 1/20 0.35
SPR P35270 1/20 0.34
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34
TRPM8 Q7Z2W7 1/20 0.33

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
SCHEMBL2818607 0.91 NAMPT (0.42) HSD11B1
SCHEMBL484855 0.89 HRH3 (0.39) HSD11B1HRH3PARP1SPRMTNR1A
SCHEMBL484661 0.88 EPHX2 (0.39) HSD11B1EPHX2
SCHEMBL485556 0.88 HSD11B1 (0.34) HSD11B1PDK2EPHX2
SCHEMBL485749 0.88 HSD11B1 (0.43) HSD11B1EPHX2TRPM8
SCHEMBL484808 0.88 BDKRB1 (0.43)
SCHEMBL484642 0.87 EPHX2 (0.39) HSD11B1EPHX2
SCHEMBL484380 0.87 HSD11B1 (0.40) HSD11B1EPHX2TRPM8
SCHEMBL2820483 0.87 CYP2D6 (0.38)
SCHEMBL2817766 0.87 MAPT (0.36) HSD11B1HRH3EPHX2

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 8 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
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 HSD11B1 1789/4885HRH3 93/4885PDK2 1271/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN HSD11B1 1789/4885HRH3 93/4885PDK2 1271/4885

“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.