SCHEMBL484604

SCHEMBL484604

Cc1c(CN2CCC3(CC2)CCN(C(=O)c2ccc4c(c2)C(NC(=O)c2cccc(Cl)c2Cl)CC4)C3)cnn1C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.40
ALPG P10696 1/20 0.40
POLB P06746 1/20 0.38
TAS1R3 Q7RTX0 4/20 0.37
TAS1R1 Q7RTX1 4/20 0.37
TAS1R2 Q8TE23 4/20 0.37
SPTLC2 O15270 2/20 0.37
WDR5 P61964 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SPR P35270 1/20 0.34
ACKR3 P25106 1/20 0.34
DDR1 Q08345 1/20 0.34
CCR8 P51685 1/20 0.33
KCNH2 Q12809 1/20 0.33
BDKRB1 P46663 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
SCHEMBL484795 0.95 SPTLC2 (0.42) ALPIALPGPOLBTAS1R3TAS1R1
SCHEMBL2817168 0.91 ALPI (0.40) ALPIALPGPOLBTAS1R3TAS1R1
SCHEMBL485466 0.90 SPTLC2 (0.43) ALPIALPGPOLBTAS1R3TAS1R1
SCHEMBL484966 0.90 ALPI (0.39) ALPIALPGPOLBMEN1KMT2A
SCHEMBL484393 0.87 TDP1 (0.38) ALPIALPGPOLBTAS1R3TAS1R1
SCHEMBL2818512 0.85 ALPI (0.40) ALPIALPGPOLBMEN1KMT2A
SCHEMBL484426 0.85 CYP2C9 (0.38) TAS1R3TAS1R1TAS1R2ACKR3BDKRB1
SCHEMBL484832 0.84 ACHE (0.42) POLBTAS1R3TAS1R1TAS1R2ACKR3
SCHEMBL485266 0.84 P2RX7 (0.39) TAS1R3TAS1R1TAS1R2ACKR3KCNH2
SCHEMBL484780 0.84 CYP2D6 (0.44) TAS1R3TAS1R1TAS1R2SPTLC2

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 ALPI 4482/4885ALPG 4815/4885POLB 4589/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN ALPI 4482/4885ALPG 4815/4885POLB 4589/4885

“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.