SCHEMBL484795

SCHEMBL484795

Cc1c(CN2CCC3(CC2)CCN(C(=O)c2ccc4c(c2)C(NC(=O)c2ccccc2Cl)CC4)C3)cnn1C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SPTLC2 O15270 8/20 0.42
ALPI P09923 1/20 0.40
ALPG P10696 1/20 0.40
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 2/20 0.38
TAS1R2 Q8TE23 2/20 0.38
POLB P06746 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SPR P35270 1/20 0.36
WDR5 P61964 2/20 0.36
SPTLC3 Q9NUV7 1/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
RIPK1 Q13546 1/20 0.35

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
SCHEMBL485466 0.96 SPTLC2 (0.43) SPTLC2ALPIALPGTAS1R3TAS1R1
SCHEMBL484604 0.95 ALPI (0.40) SPTLC2ALPIALPGTAS1R3TAS1R1
SCHEMBL2817168 0.91 ALPI (0.40) ALPIALPGTAS1R3TAS1R1TAS1R2
SCHEMBL484966 0.89 ALPI (0.39) ALPIALPGPOLBALDH1A1MEN1
SCHEMBL485069 0.88 TAS1R3 (0.40) SPTLC2TAS1R3TAS1R1TAS1R2POLB
SCHEMBL484299 0.86 TAS1R3 (0.37) SPTLC2TAS1R3TAS1R1TAS1R2POLB
SCHEMBL2818011 0.85 CRHR1 (0.41) POLBALDH1A1
SCHEMBL2818512 0.85 ALPI (0.40) ALPIALPGPOLBALDH1A1MEN1
SCHEMBL484286 0.84 CYP2D6 (0.41) SPTLC2TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL484796 0.84 TAS1R3 (0.39) SPTLC2TAS1R3TAS1R1TAS1R2ALDH1A1

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
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US 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 SPTLC2 3707/4885ALPI 4482/4885ALPG 4815/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN SPTLC2 3707/4885ALPI 4482/4885ALPG 4815/4885

“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.