SCHEMBL4170642

SCHEMBL4170642

COc1ccccc1OCCN1C(=O)C2(NC(=O)NC2=O)c2cc(Cl)ccc21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 4/20 0.42
AKR1A1 P14550 2/20 0.42
MMP2 P08253 2/20 0.41
MMP3 P08254 1/20 0.41
MMP8 P22894 1/20 0.41
MMP14 P50281 1/20 0.41
MMP17 Q9ULZ9 1/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PTGDR2 Q9Y5Y4 3/20 0.40
HTT P42858 2/20 0.39
SCN9A Q15858 2/20 0.39
HPGD P15428 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MMP13 P45452 2/20 0.37
ADAM17 P78536 2/20 0.37
ADAMTS5 Q9UNA0 2/20 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
SCHEMBL4159499 0.89 AKR1B1 (0.43) AKR1B1AKR1A1POLBHSD17B10HTT
SCHEMBL4169530 0.89 L3MBTL1 (0.42) POLBHSD17B10HTTHPGDKDM4E
SCHEMBL4167874 0.88 POLB (0.44) AKR1B1POLBHSD17B10HTTSCN9A
SCHEMBL4166000 0.86 HPGD (0.46) AKR1B1AKR1A1PTGDR2HTTHPGD
SCHEMBL4167292 0.85 PTGDR2 (0.49) AKR1B1AKR1A1MMP2MMP3MMP8
SCHEMBL4167852 0.85 POLB (0.43) AKR1B1AKR1A1MMP2MMP3MMP8
SCHEMBL4167818 0.81 AKR1B1 (0.46) AKR1B1AKR1A1MMP2MMP3MMP8
SCHEMBL4164476 0.78 CNR1 (0.51) AKR1B1AKR1A1PTGDR2ALDH1A1
SCHEMBL4260787 0.77 AKR1B1 (0.48) AKR1B1AKR1A1PTGDR2SCN9AALDH1A1
SCHEMBL4261416 0.77 AKR1B1 (0.48) AKR1B1AKR1A1PTGDR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090076049-A1 Novel Spiro [Imidazolidine-4, 3' -Indole] 2, 2', 5' (1H) Triones for Treatment of Conditions Associated with Vanilloid Receptor 1 ASTRAZENECA AB (SE) 2009-03-19 US claimed
US-20090076049-A1 Novel Spiro [Imidazolidine-4, 3' -Indole] 2, 2', 5' (1H) Triones for Treatment of Conditions Associated with Vanilloid Receptor 1 ASTRAZENECA AB (SE) 2009-03-19 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 (1 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-20090076049-A1 Novel Spiro [Imidazolidine-4, 3' -Indole] 2, 2', 5' (1H) Triones for Treatment of Conditions Associated with Vanilloid Receptor 1 TRPV1, TRPV5, TRPV2 AKR1B1 344/4885AKR1A1 310/4885MMP2 4317/4885

“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.