SCHEMBL484900

SCHEMBL484900

Cn1cncc1CN1CCC2(CC1)CCN(C(=O)c1ccc3c(c1)C(NC(=O)c1c(F)cccc1Cl)CC3)CC2

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 6/20 0.42
CYP3A4 P08684 5/20 0.42
CYP2C19 P33261 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
MAPK1 P28482 2/20 0.40
KCNH2 Q12809 4/20 0.39
USP2 O75604 1/20 0.37
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM3 P20309 1/20 0.36
GLP1R P43220 1/20 0.36
EPHX2 P34913 1/20 0.36
P2RX7 Q99572 3/20 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
SCHEMBL485269 0.90 CYP2D6 (0.41) CYP2D6CYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL485161 0.89 TAS1R3 (0.40) CYP2D6CYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL485299 0.87 CYP3A4 (0.57) CYP2D6CYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL2817018 0.87 CYP2D6 (0.45) CYP2D6CYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL484547 0.86 CYP2D6 (0.45) CYP2D6CYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL485375 0.86 CYP2D6 (0.48) CYP2D6CYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL2818512 0.86 ALPI (0.40) CYP2D6CYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL2817754 0.85 CYP2D6 (0.47) CYP2D6CYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL484647 0.84 CYP2D6 (0.43) CYP2D6CYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL485201 0.84 CYP2D6 (0.48) CYP2D6CYP3A4CYP2C19CYP1A2CYP2C9

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 CYP2D6 1926/4885CYP3A4 3781/4885CYP2C19 2325/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CYP2D6 1926/4885CYP3A4 3781/4885CYP2C19 2325/4885

“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.