SCHEMBL2816129

SCHEMBL2816129

CN(C1CCc2ccc(C(=O)N3CCC4(CC3)CCN(c3ccncc3)CC4)cc21)S(=O)(=O)Cc1ccccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 11/20 0.46
CYP2D6 P10635 8/20 0.46
CYP1A2 P05177 7/20 0.46
TSHR P16473 6/20 0.46
HIF1A Q16665 4/20 0.46
CYP2C9 P11712 9/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP2C19 P33261 4/20 0.43
USP2 O75604 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
RORC P51449 1/20 0.39
MAPK1 P28482 1/20 0.39
BDKRB1 P46663 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37

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
SCHEMBL484613 0.91 CYP3A4 (0.48) CYP3A4CYP2D6CYP1A2TSHRHIF1A
SCHEMBL485468 0.87 CYP3A4 (0.49) CYP3A4CYP2D6CYP1A2TSHRHIF1A
SCHEMBL784480 0.86 RORC (0.40) CYP2C9RORCKMT2A
SCHEMBL2840882 0.84 CYP3A4 (0.47) CYP3A4CYP2D6CYP1A2TSHRHIF1A
SCHEMBL484964 0.83 CYP3A4 (0.49) CYP3A4CYP2D6CYP1A2TSHRHIF1A
SCHEMBL2816293 0.83 CYP3A4 (0.46) CYP3A4CYP2D6CYP1A2TSHRHIF1A
SCHEMBL484984 0.82 CYP3A4 (0.53) CYP3A4CYP2D6CYP1A2TSHRHIF1A
SCHEMBL485623 0.81 CYP3A4 (0.42) CYP3A4CYP2D6CYP1A2TSHRHIF1A
SCHEMBL2818199 0.81 CYP2C9 (0.45) CYP3A4CYP2D6CYP1A2TSHRHIF1A
SCHEMBL484554 0.80 CYP3A4 (0.53) CYP3A4CYP2D6CYP1A2TSHRHIF1A

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 CYP3A4 3781/4885CYP2D6 1926/4885CYP1A2 3400/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CYP3A4 3781/4885CYP2D6 1926/4885CYP1A2 3400/4885

“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.