SCHEMBL2816015

SCHEMBL2816015

Cc1noc(C)c1CN1CCC2(CC1)CCN(C(=O)c1ccc3c(c1)C(NC(=O)c1c(F)cccc1Cl)CC3)CC2

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.43
CYP3A4 P08684 4/20 0.41
USP2 O75604 3/20 0.40
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HIF1A Q16665 1/20 0.40
CYP2D6 P10635 6/20 0.40
CYP1A2 P05177 3/20 0.40
CYP2C19 P33261 2/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 1/20 0.39
RECQL P46063 1/20 0.37
TSHR P16473 1/20 0.36
ACHE P22303 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL484738 0.96 CYP2C9 (0.39) CYP2C9CYP3A4USP2MAPK1SMN1; SMN2
SCHEMBL2817018 0.90 CYP2D6 (0.45) CYP2C9CYP3A4USP2MAPK1SMN1; SMN2
SCHEMBL484418 0.89 CYP2C9 (0.40) CYP2C9CYP3A4USP2MAPK1SMN1; SMN2
SCHEMBL485012 0.89 CYP2C9 (0.45) CYP2C9CYP3A4USP2MAPK1SMN1; SMN2
SCHEMBL484547 0.89 CYP2D6 (0.45) CYP2C9CYP3A4USP2MAPK1SMN1; SMN2
SCHEMBL485201 0.86 CYP2D6 (0.48) CYP2C9CYP3A4USP2MAPK1SMN1; SMN2
SCHEMBL484426 0.86 CYP2C9 (0.38) CYP2C9CYP3A4USP2MAPK1SMN1; SMN2
SCHEMBL485299 0.85 CYP3A4 (0.57) CYP2C9CYP3A4USP2MAPK1SMN1; SMN2
SCHEMBL485063 0.85 CYP2C9 (0.41) CYP2C9CYP3A4USP2MAPK1SMN1; SMN2
SCHEMBL2815722 0.84 USP2 (0.44) CYP2C9CYP3A4USP2MAPK1SMN1; SMN2

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 6 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
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 CYP2C9 2259/4885CYP3A4 3781/4885USP2 4864/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CYP2C9 2259/4885CYP3A4 3781/4885USP2 4864/4885

“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.