SCHEMBL2816294

SCHEMBL2816294

O=C(N[C@@H]1CCc2ccc(C(=O)N3CCC4(CCCN(c5ccncc5)C4)CC3)cc21)c1ccccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 16/20 0.53
CYP2C9 P11712 12/20 0.53
CYP2C19 P33261 12/20 0.53
CYP2D6 P10635 10/20 0.53
CYP1A2 P05177 9/20 0.53
USP2 O75604 6/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
TSHR P16473 8/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
MAPK1 P28482 2/20 0.49
HIF1A Q16665 5/20 0.48
ALOX15 P16050 2/20 0.48
HBB P68871 1/20 0.48
ALDH1A1 P00352 5/20 0.46
HSD17B10 Q99714 2/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL2816277 0.96 CYP3A4 (0.52) CYP3A4CYP2C9CYP2C19CYP2D6CYP1A2
SCHEMBL2817698 0.96 CYP3A4 (0.49) CYP3A4CYP2C9CYP2C19CYP2D6CYP1A2
SCHEMBL2817913 0.96 CYP2C9 (0.47) CYP3A4CYP2C9CYP2C19CYP2D6CYP1A2
SCHEMBL484439 0.96 CYP2C9 (0.47) CYP3A4CYP2C9CYP2C19CYP2D6CYP1A2
SCHEMBL2820974 0.94 CYP3A4 (0.50) CYP3A4CYP2C9CYP2C19CYP2D6CYP1A2
SCHEMBL2817336 0.93 CYP3A4 (0.54) CYP3A4CYP2C9CYP2C19CYP2D6CYP1A2
SCHEMBL2818748 0.93 ALDH1A1 (0.49) CYP3A4CYP2C9CYP2C19CYP2D6CYP1A2
SCHEMBL2817823 0.93 BDKRB1 (0.47) CYP3A4CYP2C9CYP2C19CYP2D6CYP1A2
SCHEMBL2817208 0.93 CYP3A4 (0.49) CYP3A4CYP2C9CYP2C19CYP2D6CYP1A2
SCHEMBL484212 0.93 CYP3A4 (0.47) CYP3A4CYP2C9CYP2C19CYP2D6CYP1A2

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 12 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-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
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-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 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
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 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 3781/4885CYP2C9 2259/4885CYP2C19 2325/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CYP3A4 3781/4885CYP2C9 2259/4885CYP2C19 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.