SCHEMBL485102

SCHEMBL485102

O=C(NC1CCc2ccc(C(=O)N3CCC4(CCNCC4)C3)cc21)c1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.46
ALDH1A1 P00352 1/20 0.46
TAS1R3 Q7RTX0 5/20 0.44
TAS1R1 Q7RTX1 5/20 0.44
TAS1R2 Q8TE23 4/20 0.44
SPTLC2 O15270 1/20 0.41
GABRD O14764 2/20 0.40
GABRA1 P14867 2/20 0.40
GABRB1 P18505 2/20 0.40
GABRA5 P31644 2/20 0.40
GABRA3 P34903 2/20 0.40
GABRA2 P47869 2/20 0.40
GABRB2 P47870 2/20 0.40
GABRA4 P48169 2/20 0.40
L3MBTL3 Q96JM7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL13131345 0.95 NAMPT (0.47) NAMPTALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL2815468 0.95 ALDH1A1 (0.47) NAMPTALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL2815346 0.94 ALDH1A1 (0.50) NAMPTALDH1A1TAS1R3TAS1R1TAS1R2
Hydrochloric Acid SCHEMBL485108 0.94 NAMPT (0.47) NAMPTALDH1A1TAS1R3TAS1R1TAS1R2
Hydrochloric Acid SCHEMBL485109 0.94 NAMPT (0.47) NAMPTALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL2817716 0.93 TAS1R3 (0.43) NAMPTALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL484473 0.91 ALDH1A1 (0.46) ALDH1A1TAS1R3TAS1R1TAS1R2SPTLC2
SCHEMBL485067 0.89 ALDH1A1 (0.45) ALDH1A1TAS1R3TAS1R1TAS1R2SPTLC2
SCHEMBL485232 0.88 ALDH1A1 (0.46) ALDH1A1TAS1R3TAS1R1TAS1R2SPTLC2
SCHEMBL2815754 0.88 GABRD (0.46) NAMPTTAS1R3TAS1R1TAS1R2GABRD

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 12 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 disclosed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
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-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 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
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US 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
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 NAMPT 2232/4885ALDH1A1 2086/4885TAS1R3 339/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN NAMPT 2232/4885ALDH1A1 2086/4885TAS1R3 339/4885

“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.