SCHEMBL21134597

SCHEMBL21134597

CCCC1CCCC(F)(F)C1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
APLNR P35414 1/20 0.33
SCN9A Q15858 2/20 0.30
ARG1 P05089 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
SCHEMBL21726810 0.87 APLNR (0.36) APLNR
SCHEMBL24925879 0.87 APLNR (0.36) APLNR
SCHEMBL17835279 0.83 APLNR (0.36) APLNRSCN9A
SCHEMBL17490614 0.83 APLNR (0.36) APLNRSCN9A
SCHEMBL17835280 0.83 APLNR (0.36) APLNRSCN9A
SCHEMBL16911985 0.79 ARG1 (0.33) APLNRSCN9AARG1
SCHEMBL28077323 0.79 APLNR (0.43) APLNRSCN9AARG1
SCHEMBL12584762 0.77
SCHEMBL22144017 0.77 APLNR (0.34) CYP1A2APLNR
SCHEMBL6944623 0.77 CYP1A2 (0.37) CYP1A2ARG1

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-11685732-B2 MYST family histone acetyltransferase inhibitors Epizyme, Inc. (US) 2023-06-27 US disclosed
US-10323000-B2 Indole derivatives and their use in neurodegenerative diseases MERCK PATENT GMBH (DE) 2019-06-18 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-10323000-B2 Indole derivatives and their use in neurodegenerative diseases P2RX3, ADORA2A, P2RX7 CYP1A2 1409/4885APLNR 961/4885SCN9A 1398/4885
US-11685732-B2 MYST family histone acetyltransferase inhibitors EP300, KAT2A, KAT6A CYP1A2 4665/4885APLNR 3423/4885SCN9A 2657/4885

“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.