SCHEMBL6507664

SCHEMBL6507664

CCN(CC1CC1)C(=O)c1ccc2c(=O)c3c(sc2c1)CC(C)(C)CC3

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.40
MLYCD O95822 1/20 0.34
OXTR P30559 2/20 0.33
AVPR1A P37288 2/20 0.33
AVPR2 P30518 1/20 0.33
AVPR1B P47901 1/20 0.33
OPRD1 P41143 2/20 0.32
OPRK1 P41145 2/20 0.32
OPRM1 P35372 1/20 0.31
CYP1A2 P05177 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
BLM P54132 1/20 0.31

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
SCHEMBL6506308 0.86 KIF11 (0.44) KIF11MLYCDOPRD1OPRM1CYP1A2
SCHEMBL6529219 0.86 KIF11 (0.41) KIF11MLYCDCYP1A2HSP90AA1HSP90AB1
SCHEMBL5739761 0.85 ACHE (0.37) KIF11BLM
SCHEMBL6504028 0.81 MAPK14 (0.41)
SCHEMBL5741839 0.79 RXRA (0.37) KIF11
SCHEMBL6529416 0.77 PDK2 (0.36) KIF11
SCHEMBL6510139 0.74 KMT2A (0.41) KIF11MLYCD
SCHEMBL5739318 0.73 KIF11 (0.32) KIF11
SCHEMBL5739313 0.73 PDE4B (0.33)
SCHEMBL5739316 0.73 PDE4B (0.33)

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-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2005-01-13 US disclosed
US-20050009820-A1 Thiochromenones used to combat painful conditions and neurodegenerative diseases BAYER HEALTHCARE AG (DE) 2005-01-13 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-20050009820-A1 Thiochromenones used to combat painful conditions and neurodegenerative diseases HTT, HMOX1, SNCA KIF11 2553/4885MLYCD 3859/4885OXTR 3196/4885
US-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith GPR119, JAK3, IGF1R KIF11 2866/4885MLYCD 2538/4885OXTR 3250/4885

“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.