SCHEMBL7764797

SCHEMBL7764797

[CH2]c1ccccc1CCCF

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 6/20 0.37
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
MGLL Q99685 1/20 0.31
LIPG Q9Y5X9 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
SCHEMBL1533499 0.86 TAAR1 (0.39) TAAR1
SCHEMBL10719547 0.85 LIPG (0.34) TAAR1SLC6A4MGLLLIPG
SCHEMBL27854231 0.82 TAAR1 (0.41) TAAR1SLC6A4
SCHEMBL5869932 0.80 TAAR1 (0.35) TAAR1
SCHEMBL8467567 0.77 POLB (0.38) TAAR1SLC6A2SLC6A4LIPG
SCHEMBL11576484 0.77 ALDH1A1 (0.34) TAAR1LIPG
SCHEMBL7453023 0.77 TDP1 (0.36) TAAR1LIPG
SCHEMBL392416 0.77 LIPG (0.47) LIPG
SCHEMBL3403865 0.77 LIPG (0.34) MGLLLIPG
SCHEMBL577388 0.76 TAAR1 (0.56) TAAR1

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-2001085221-A2 ASSESSING LEVELS OF O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE IN VIVO DUKE UNIVERSITY (US) 2001-11-15 WO claimed
US-20120270812-A1 COMPOSITIONS, METHODS, AND KITS FOR DETERMINING AN ALKYL TRANSFERASE DUKE UNIVERSITY (US) 2012-10-25 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-20120270812-A1 COMPOSITIONS, METHODS, AND KITS FOR DETERMINING AN ALKYL TRANSFERASE UNG, DNTT, OGG1 TAAR1 581/4885SLC6A2 1243/4885SLC6A4 2258/4885

“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.