SCHEMBL2817871

SCHEMBL2817871

O=C(N[C@@H]1CCOc2cc(C(F)(F)F)c(C(=O)N3CCC4(CCN(c5ccncc5)CC4)C3)cc21)c1ccccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.39
CYP3A4 P08684 4/20 0.39
HIF1A Q16665 4/20 0.39
CYP2D6 P10635 3/20 0.39
CYP1A2 P05177 2/20 0.39
BDKRB1 P46663 9/20 0.39
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
CYP2C9 P11712 4/20 0.37
USP2 O75604 1/20 0.37
EPHX2 P34913 2/20 0.37
HSD17B2 P37059 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP2C19 P33261 1/20 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
SCHEMBL484219 0.92 BDKRB1 (0.40) TSHRCYP3A4HIF1ACYP2D6CYP1A2
SCHEMBL484625 0.87 CYP2C9 (0.44) TSHRCYP3A4HIF1ACYP2D6CYP1A2
SCHEMBL2822148 0.86 CYP2C9 (0.42) TSHRCYP3A4HIF1ACYP2D6CYP1A2
SCHEMBL13131279 0.83 CYP3A4 (0.45) TSHRCYP3A4HIF1ACYP2D6CYP1A2
SCHEMBL2816079 0.82 CYP2C9 (0.45) TSHRCYP3A4HIF1ACYP2D6CYP1A2
SCHEMBL2816858 0.82 CYP2C9 (0.47) TSHRCYP3A4HIF1ACYP2D6CYP1A2
SCHEMBL484267 0.82 CYP3A4 (0.42) TSHRCYP3A4HIF1ACYP2D6CYP1A2
SCHEMBL13131272 0.80 ITGB3 (0.42) TSHRCYP3A4HIF1ACYP2D6CYP1A2
Hydrochloric Acid SCHEMBL484551 0.80 ITGB3 (0.41) TSHRCYP3A4HIF1ACYP2D6CYP1A2
SCHEMBL484609 0.79 ALDH1A1 (0.47) TSHRCYP3A4HIF1ACYP2D6CYP1A2

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 11 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-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 TSHR 338/4885CYP3A4 3781/4885HIF1A 1157/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN TSHR 338/4885CYP3A4 3781/4885HIF1A 1157/4885

“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.