SCHEMBL2816256

SCHEMBL2816256

O=C(c1ccc2c(c1)[C@H](N(CC(F)(F)F)C(=O)c1ccccc1Cl)CC2)N1CCC2(CCN(c3ccncc3)CC2)C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 2/20 0.42
CYP3A4 P08684 10/20 0.41
TSHR P16473 8/20 0.41
CYP2C9 P11712 7/20 0.41
CYP2D6 P10635 5/20 0.41
HIF1A Q16665 4/20 0.41
CYP1A2 P05177 3/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP2C19 P33261 5/20 0.40
ITGB3 P05106 4/20 0.38
ITGA2B P08514 4/20 0.38
USP2 O75604 3/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL484808 0.88 BDKRB1 (0.43) BDKRB1CYP3A4TSHRCYP2C9CYP2D6
SCHEMBL484314 0.87 CYP3A4 (0.44) BDKRB1CYP3A4TSHRCYP2C9CYP2D6
SCHEMBL484277 0.83 CYP2C9 (0.45) BDKRB1CYP3A4TSHRCYP2C9CYP2D6
SCHEMBL484295 0.83 BDKRB1 (0.48) BDKRB1CYP3A4TSHRCYP2C9CYP2D6
SCHEMBL484487 0.83 CYP2C9 (0.47) BDKRB1CYP3A4TSHRCYP2C9CYP2D6
SCHEMBL484412 0.82 CYP3A4 (0.49) BDKRB1CYP3A4TSHRCYP2C9CYP2D6
SCHEMBL484198 0.80 BDKRB1 (0.42) BDKRB1CYP3A4TSHRCYP2C9CYP2D6
SCHEMBL2815777 0.80 BDKRB1 (0.45) BDKRB1CYP3A4TSHRCYP2C9CYP2D6
SCHEMBL2817400 0.80 BDKRB1 (0.45) BDKRB1CYP3A4TSHRCYP2C9CYP2D6
SCHEMBL484199 0.80 BDKRB1 (0.45) BDKRB1CYP3A4TSHRCYP2C9CYP2D6

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 3781/4885TSHR 338/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN BDKRB1 1/4885CYP3A4 3781/4885TSHR 338/4885

“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.