SCHEMBL484639

SCHEMBL484639

Cc1nc(CN2CCC3(CC2)CCN(C(=O)c2ccc4c(c2)C(NC(=O)c2c(F)cccc2Cl)CC4)C3)c[nH]1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.37
DDR1 Q08345 1/20 0.36
CYP2D6 P10635 9/20 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
USP2 O75604 3/20 0.35
HPGD P15428 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HTR1F P30939 1/20 0.34
HTR1A P08908 3/20 0.34
TSHR P16473 1/20 0.33
ACKR3 P25106 1/20 0.33
ADRA1A P35348 1/20 0.33
RECQL P46063 1/20 0.33
AURKA O14965 1/20 0.33
AURKB Q96GD4 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
SCHEMBL484835 0.93 DDR1 (0.39) DDR1HTR1AACKR3
SCHEMBL485641 0.89 TAS1R3 (0.38) DDR1ALDH1A1HTR1AACKR3
SCHEMBL484738 0.86 CYP2C9 (0.39) EPHX2CYP2D6CYP3A4CYP2C9CYP1A2
SCHEMBL485415 0.85 TAS1R3 (0.39) DDR1CYP2D6CYP3A4CYP2C19MAPK1
SCHEMBL484966 0.84 ALPI (0.39) EPHX2CYP2D6CYP3A4CYP2C9CYP1A2
SCHEMBL484330 0.84 CYP2D6 (0.49) EPHX2CYP2D6CYP3A4CYP2C9CYP1A2
SCHEMBL484502 0.84 ACHE (0.42) EPHX2DDR1CYP2D6CYP3A4CYP1A2
SCHEMBL485064 0.84 CYP2D6 (0.41) EPHX2CYP2D6CYP3A4CYP2C9CYP1A2
SCHEMBL485130 0.83 KMT2A (0.37) EPHX2CYP2D6CYP3A4CYP2C9CYP1A2
SCHEMBL2820289 0.83 NAMPT (0.44) EPHX2

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 EPHX2 905/4885DDR1 70/4885CYP2D6 1926/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN EPHX2 905/4885DDR1 70/4885CYP2D6 1926/4885

“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.