SCHEMBL2819741

SCHEMBL2819741

Cc1cccc(C)c1C(=O)NC1CCc2ccc(C(=O)N3CCC4(CC3)CCN(c3ccc(C(F)(F)F)cc3)CC4)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.47
TSHR P16473 5/20 0.47
CYP1A2 P05177 3/20 0.45
CYP2D6 P10635 3/20 0.45
HIF1A Q16665 3/20 0.45
CCR5 P51681 2/20 0.42
CYP2C9 P11712 3/20 0.41
ALDH1A1 P00352 1/20 0.41
USP2 O75604 4/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CTSS P25774 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
HSD17B10 Q99714 1/20 0.40
WDR5 P61964 1/20 0.39
NAMPT P43490 1/20 0.39
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39

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
SCHEMBL484536 0.92 CYP3A4 (0.44) CYP3A4TSHRCYP1A2CYP2D6HIF1A
SCHEMBL484486 0.91 CYP3A4 (0.47) CYP3A4TSHRCYP1A2CYP2D6HIF1A
SCHEMBL484924 0.90 CYP2C9 (0.52) CYP3A4TSHRCYP1A2CYP2D6HIF1A
SCHEMBL484499 0.88 CYP3A4 (0.44) CYP3A4TSHRCYP1A2CYP2D6HIF1A
SCHEMBL484316 0.86 CYP3A4 (0.49) CYP3A4TSHRCYP1A2CYP2D6HIF1A
SCHEMBL484628 0.85 CYP3A4 (0.45) CYP3A4TSHRCYP1A2CYP2D6HIF1A
SCHEMBL484980 0.85 CYP3A4 (0.48) CYP3A4TSHRCYP1A2CYP2D6HIF1A
SCHEMBL484574 0.85 CYP3A4 (0.49) CYP3A4TSHRCYP1A2CYP2D6HIF1A
SCHEMBL484370 0.85 CYP3A4 (0.46) CYP3A4TSHRCYP1A2CYP2D6HIF1A
SCHEMBL484766 0.85 CYP3A4 (0.46) CYP3A4TSHRCYP1A2CYP2D6HIF1A

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 6 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-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

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 338/4885CYP1A2 3400/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CYP3A4 3781/4885TSHR 338/4885CYP1A2 3400/4885

“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.