SCHEMBL485287

SCHEMBL485287

O=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(c5ccncc5)CC4)C3)cc21)c1c(F)cccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 11/20 0.47
TSHR P16473 7/20 0.47
CYP2C9 P11712 7/20 0.47
CYP2D6 P10635 4/20 0.47
HIF1A Q16665 4/20 0.47
CYP1A2 P05177 4/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP2C19 P33261 5/20 0.46
USP2 O75604 3/20 0.41
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39
EPHX2 P34913 3/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL2818064 1.00 CYP3A4 (0.47) CYP3A4TSHRCYP2C9CYP2D6HIF1A
SCHEMBL484442 0.96 CYP3A4 (0.50) CYP3A4TSHRCYP2C9CYP2D6HIF1A
SCHEMBL484539 0.96 CYP3A4 (0.53) CYP3A4TSHRCYP2C9CYP2D6HIF1A
SCHEMBL484779 0.93 CYP3A4 (0.52) CYP3A4TSHRCYP2C9CYP2D6HIF1A
SCHEMBL2817892 0.92 CYP3A4 (0.43) CYP3A4TSHRCYP2C9CYP2D6HIF1A
SCHEMBL484461 0.90 CYP3A4 (0.49) CYP3A4TSHRCYP2C9CYP2D6HIF1A
SCHEMBL484319 0.90 CYP3A4 (0.49) CYP3A4TSHRCYP2C9CYP2D6HIF1A
SCHEMBL2821867 0.89 CYP3A4 (0.45) CYP3A4TSHRCYP2C9CYP2D6HIF1A
SCHEMBL484841 0.89 CYP2C9 (0.55) CYP3A4TSHRCYP2C9CYP2D6HIF1A
SCHEMBL484492 0.89 CYP3A4 (0.58) CYP3A4TSHRCYP2C9CYP2D6HIF1A

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 10 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
EP-2411381-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-02-01 EP claimed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US claimed
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 WO 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
EP-2411381-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-02-01 EP disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 WO 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 3781/4885TSHR 338/4885CYP2C9 2259/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CYP3A4 3781/4885TSHR 338/4885CYP2C9 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.