SCHEMBL485042

SCHEMBL485042

O=C(NC1CCc2ccc(C(=O)N3CCC4(CC3)CCN(c3ccncc3)CC4)cc21)c1cccc(C(F)(F)F)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 12/20 0.48
CYP2C9 P11712 9/20 0.48
CYP2D6 P10635 7/20 0.48
TSHR P16473 7/20 0.48
CYP1A2 P05177 7/20 0.48
HIF1A Q16665 5/20 0.48
ALDH1A1 P00352 2/20 0.48
BDKRB1 P46663 1/20 0.44
CYP2C19 P33261 6/20 0.42
SLC6A9 P48067 1/20 0.42
USP2 O75604 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
P2RX7 Q99572 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL484590 0.96 CYP3A4 (0.46) CYP3A4CYP2C9CYP2D6TSHRCYP1A2
SCHEMBL484500 0.96 CYP3A4 (0.43) CYP3A4CYP2C9CYP2D6TSHRCYP1A2
SCHEMBL2819072 0.93 CYP3A4 (0.51) CYP3A4CYP2C9CYP2D6TSHRCYP1A2
SCHEMBL484758 0.90 BDKRB1 (0.50) CYP3A4CYP2C9CYP2D6TSHRCYP1A2
SCHEMBL484304 0.90 BDKRB1 (0.50) CYP3A4CYP2C9CYP2D6TSHRCYP1A2
SCHEMBL2819010 0.90 CYP3A4 (0.48) CYP3A4CYP2C9CYP2D6TSHRCYP1A2
SCHEMBL484522 0.90 CYP3A4 (0.48) CYP3A4CYP2C9CYP2D6TSHRCYP1A2
SCHEMBL484771 0.89 CYP3A4 (0.49) CYP3A4CYP2C9CYP2D6TSHRCYP1A2
SCHEMBL484601 0.88 CYP3A4 (0.48) CYP3A4CYP2C9CYP2D6TSHRCYP1A2
SCHEMBL2821867 0.88 CYP3A4 (0.45) CYP3A4CYP2C9CYP2D6TSHRCYP1A2

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 3781/4885CYP2C9 2259/4885CYP2D6 1926/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CYP3A4 3781/4885CYP2C9 2259/4885CYP2D6 1926/4885

“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.