SCHEMBL17835247

SCHEMBL17835247

CC[C@]1(O)C[C@H](C)CC(F)(F)C1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.32
ADAMTS4 O75173 1/20 0.32
IL1B P01584 1/20 0.32

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
SCHEMBL17835252 1.00 P2RX7 (0.32) P2RX7ADAMTS4IL1B
SCHEMBL17835249 1.00 P2RX7 (0.32) P2RX7ADAMTS4IL1B
SCHEMBL17818969 0.82 FUCA1 (0.32) P2RX7ADAMTS4IL1B
SCHEMBL17834113 0.80 P2RX7 (0.31) P2RX7ADAMTS4IL1B
SCHEMBL17834114 0.80 P2RX7 (0.31) P2RX7ADAMTS4IL1B
SCHEMBL17834111 0.80 P2RX7 (0.31) P2RX7ADAMTS4IL1B
SCHEMBL9941609 0.77 ESR1 (0.38)
SCHEMBL3079816 0.77 ESR1 (0.38)
SCHEMBL15382208 0.74
SCHEMBL17858281 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160168090-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2016-06-16 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-20160168090-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES P2RX3, P2RX7, P2RX2 P2RX7 2/4885ADAMTS4 3978/4885IL1B 668/4885

“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.