SCHEMBL13201164

SCHEMBL13201164

COC(=O)C1CC(=O)NC(c2ccc(F)cc2)[C@@H]1C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 9/20 0.45
RECQL P46063 1/20 0.44
SLC6A4 P31645 4/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
CYP2D6 P10635 1/20 0.42
SLC6A2 P23975 3/20 0.42
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL13196704 1.00 SLC6A3 (0.45) SLC6A3RECQLSLC6A4CA1CA2
SCHEMBL21057760 0.91 RECQL (0.46) SLC6A3RECQLSLC6A4CA1CA2
SCHEMBL2800532 0.81 LMNA (0.37) ALDH1A1TDP1LMNA
SCHEMBL21057706 0.77 RECQL (0.36) SLC6A3RECQLCA1CA2CA4
SCHEMBL13200505 0.76 CYP2D6 (0.40) CYP2D6ALDH1A1TDP1LMNA
SCHEMBL13196706 0.76 CYP2D6 (0.40) CYP2D6ALDH1A1TDP1LMNA
SCHEMBL21057955 0.76 CYP2D6 (0.50) SLC6A3SLC6A4CA1CA2CA4
SCHEMBL21057907 0.76 TDP1 (0.40) ALDH1A1TDP1LMNA
SCHEMBL21104519 0.76 TDP1 (0.40) ALDH1A1TDP1LMNA
SCHEMBL21138531 0.76 TDP1 (0.40) ALDH1A1TDP1LMNA

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-20100197724-A1 6.5 -PYRROLOPIPERIDINE TACHYKININ RECEPTOR ANTAGONISTS BAO JIANMING 2010-08-05 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-20100197724-A1 6.5 -PYRROLOPIPERIDINE TACHYKININ RECEPTOR ANTAGONISTS TACR1, TACR2, HTR1D SLC6A3 292/4885RECQL 2413/4885SLC6A4 374/4885

“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.