SCHEMBL17835280

SCHEMBL17835280

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

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.36
SCN9A Q15858 3/20 0.32
KAT8 Q9H7Z6 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL17490614 1.00 APLNR (0.36) APLNRSCN9AKAT8POLB
SCHEMBL17835279 1.00 APLNR (0.36) APLNRSCN9AKAT8POLB
SCHEMBL27375615 0.93 APLNR (0.34) APLNR
SCHEMBL22144017 0.93 APLNR (0.34) APLNR
SCHEMBL765004 0.86
SCHEMBL1962749 0.86
SCHEMBL21134597 0.83 CYP1A2 (0.35) APLNRSCN9A
SCHEMBL21779737 0.82 KDM4E (0.37) POLB
Hydrochloric Acid SCHEMBL28794792 0.82 APLNR (0.36) APLNRPOLB
SCHEMBL30107026 0.79 APLNR (0.37) APLNR

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
WO-2016100281-A1 INDOLE AND AZAINDOLES DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2016-06-23 WO disclosed
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 APLNR 1063/4885SCN9A 1394/4885KAT8 4670/4885

“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.