SCHEMBL484855

SCHEMBL484855

CN(C(=O)c1ccccc1Cl)C1CCc2ccc(C(=O)N3CCC4(CCN(C(=O)C5CC5)CC4)C3)cc21

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.39
TSHR P16473 2/20 0.37
HPGD P15428 1/20 0.37
SPR P35270 3/20 0.36
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
PARP1 P09874 1/20 0.36
HSD11B1 P28845 2/20 0.35
AR P10275 1/20 0.35
ADRB2 P07550 1/20 0.35
CYP2D6 P10635 2/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL2816878 0.91 NAMPT (0.43) TSHRHPGD
SCHEMBL486049 0.89 HSD11B1 (0.39) HRH3SPRMTNR1AMTNR1BPARP1
SCHEMBL484378 0.88 TSHR (0.35) TSHRHPGDSPRHSD11B1AR
SCHEMBL484273 0.88 HSD11B1 (0.44) TSHRHSD11B1CYP2D6TRPM8RECQL
SCHEMBL484314 0.87 CYP3A4 (0.44) TSHRARCYP2D6
SCHEMBL2819053 0.87 CYP2D6 (0.41) TSHRHPGDCYP2D6RECQL
SCHEMBL484603 0.87 HSD11B1 (0.43) TSHRHSD11B1CYP2D6
SCHEMBL485006 0.86 CYP2D6 (0.42) TSHRHPGDCYP2D6RECQL
SCHEMBL484684 0.85 CYP2D6 (0.43) TSHRHPGDCYP2D6RECQL
SCHEMBL484310 0.85 CYP2D6 (0.42) TSHRHPGDCYP2D6RECQL

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 HRH3 93/4885TSHR 338/4885HPGD 386/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN HRH3 93/4885TSHR 338/4885HPGD 386/4885

“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.