SCHEMBL484966

SCHEMBL484966

Cc1c(CN2CCC3(CC2)CCN(C(=O)c2ccc4c(c2)C(NC(=O)c2c(F)cccc2Cl)CC4)C3)cnn1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.39
ALPG P10696 1/20 0.39
POLB P06746 2/20 0.37
EPHX2 P34913 3/20 0.37
RIPK1 Q13546 1/20 0.36
CYP2D6 P10635 10/20 0.36
CYP3A4 P08684 6/20 0.36
CYP2C9 P11712 3/20 0.36
CYP1A2 P05177 3/20 0.36
CYP2C19 P33261 2/20 0.36
MAPK1 P28482 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
USP2 O75604 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 2/20 0.34
ACKR3 P25106 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
SCHEMBL2818512 0.96 ALPI (0.40) ALPIALPGPOLBRIPK1CYP2D6
SCHEMBL2817168 0.93 ALPI (0.40) ALPIALPGPOLBMEN1KMT2A
SCHEMBL484604 0.90 ALPI (0.40) ALPIALPGPOLBMEN1KMT2A
SCHEMBL484795 0.89 SPTLC2 (0.42) ALPIALPGPOLBRIPK1MEN1
SCHEMBL485130 0.87 KMT2A (0.37) ALPIALPGPOLBEPHX2CYP2D6
SCHEMBL485064 0.87 CYP2D6 (0.41) EPHX2CYP2D6CYP3A4CYP2C9CYP1A2
SCHEMBL485466 0.85 SPTLC2 (0.43) ALPIALPGPOLBCYP2D6CYP3A4
SCHEMBL484639 0.84 EPHX2 (0.37) EPHX2CYP2D6CYP3A4CYP2C9CYP1A2
SCHEMBL484738 0.84 CYP2C9 (0.39) EPHX2CYP2D6CYP3A4CYP2C9CYP1A2
SCHEMBL2820609 0.84 CYP2D6 (0.39) EPHX2CYP2D6CYP3A4CYP2C9CYP1A2

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 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.