SCHEMBL2816213

SCHEMBL2816213

O=C(N[C@@H]1CCc2cc(C(=O)N3CCC4(CC3)CCN(c3ccncc3)CC4)ccc21)c1ccccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.51
CYP3A4 P08684 9/20 0.51
CYP2C9 P11712 9/20 0.51
CYP2D6 P10635 9/20 0.51
CYP1A2 P05177 8/20 0.51
TSHR P16473 5/20 0.51
ALDH1A1 P00352 5/20 0.51
HIF1A Q16665 4/20 0.51
CYP2C19 P33261 7/20 0.49
SMN1; SMN2 Q16637 5/20 0.47
USP2 O75604 3/20 0.47
MAPK1 P28482 2/20 0.47
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SPTLC2 O15270 1/20 0.42
ITGB3 P05106 1/20 0.41

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
SCHEMBL2819104 1.00 BDKRB1 (0.51) BDKRB1CYP3A4CYP2C9CYP2D6CYP1A2
SCHEMBL2816127 0.95 BDKRB1 (0.46) BDKRB1CYP3A4CYP2C9CYP2D6CYP1A2
SCHEMBL2818537 0.95 BDKRB1 (0.46) BDKRB1CYP3A4CYP2C9CYP2D6CYP1A2
SCHEMBL484204 0.94 BDKRB1 (0.49) BDKRB1CYP3A4CYP2C9CYP2D6CYP1A2
SCHEMBL2817823 0.91 BDKRB1 (0.47) BDKRB1CYP3A4CYP2C9CYP2D6CYP1A2
SCHEMBL484480 0.89 BDKRB1 (0.45) BDKRB1CYP3A4CYP2C9CYP2D6CYP1A2
SCHEMBL2817400 0.89 BDKRB1 (0.45) BDKRB1CYP3A4CYP2C9CYP2D6CYP1A2
SCHEMBL2815777 0.89 BDKRB1 (0.45) BDKRB1CYP3A4CYP2C9CYP2D6CYP1A2
SCHEMBL2820964 0.89 ALDH1A1 (0.51) BDKRB1CYP3A4CYP2C9CYP2D6CYP1A2
SCHEMBL2817913 0.89 CYP2C9 (0.47) BDKRB1CYP3A4CYP2C9CYP2D6CYP1A2

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 BDKRB1 1/4885CYP3A4 3781/4885CYP2C9 2259/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN BDKRB1 1/4885CYP3A4 3781/4885CYP2C9 2259/4885

“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.