SCHEMBL16000809

SCHEMBL16000809

FC1(c2ncc(Br)cc2Cl)CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.36
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
TRPV1 Q8NER1 2/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 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
SCHEMBL16000810 0.80 PLAU (0.39) PLAUHTTKMT2AALDH1A1GAA
SCHEMBL16000814 0.76 HTT (0.36) HTT
SCHEMBL29157508 0.76 OPRL1 (0.35) TRPV1
SCHEMBL30802451 0.76 OPRL1 (0.35) TRPV1
SCHEMBL23580162 0.75 PLAU (0.40) PLAUHTTKMT2A
SCHEMBL27020188 0.74 PLAU (0.39) PLAUHTTKMT2AALDH1A1MAPT
SCHEMBL13977891 0.71 TRPV1 (0.41) TRPV1
SCHEMBL14919923 0.70 PLAU (0.36) PLAUHTTKMT2A
SCHEMBL14919971 0.70 PLAU (0.39) PLAUHTTKMT2A
SCHEMBL14920534 0.68 PLAU (0.44) PLAUHTTKMT2AALDH1A1MAPT

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-9156830-B2 Heterocyclic compounds SHIONOGI & CO., LTD. (JP) 2015-10-13 US disclosed
US-20140249159-A1 HETEROCYCLIC COMPOUNDS PURDUE PHARMA L.P. 2014-09-04 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-20140249159-A1 HETEROCYCLIC COMPOUNDS HRH2, UGT1A3, UGT1A1 PLAU 3771/4885HTT 2029/4885KMT2A 3048/4885

“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.