SCHEMBL2805677

SCHEMBL2805677

NC(=O)C1OCCC1C(=O)NCc1ccc(Nc2ccccc2C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.44
F2 P00734 2/20 0.41
POLB P06746 4/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 2/20 0.37
RECQL P46063 1/20 0.37
MC4R P32245 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
THRB P10828 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
NOX1 Q9Y5S8 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36

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
SCHEMBL2809264 0.86 EPHX2 (0.38) SCN9APOLBMAPTLMNAHTT
SCHEMBL13159831 0.78 EPHX2 (0.42) SCN9APOLBMAPTHTTRECQL
SCHEMBL13159669 0.78 EPHX2 (0.42) SCN9APOLBMAPTHTTRECQL
SCHEMBL2779378 0.77 LMNA (0.40) POLBMAPTLMNAHTTSMN1; SMN2
SCHEMBL2805098 0.76 CNR2 (0.36) EPHX2P2RX7
SCHEMBL2805090 0.73 ALDH1A1 (0.43) POLBMAPTLMNAHTTALDH1A1
SCHEMBL2781755 0.73 POLB (0.40) POLBMAPTHTTALDH1A1KDM4E
Hydrochloric Acid SCHEMBL2805207 0.73 CNR2 (0.35) EPHX2P2RX7
SCHEMBL184945 0.73 MT-CO2 (0.43) POLBMAPTHTTALDH1A1KDM4E
SCHEMBL2805680 0.72 ALDH1A1 (0.40) POLBMAPTLMNAHTTALDH1A1

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-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 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-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 SCN9A 261/4885F2 677/4885POLB 3203/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 SCN9A 261/4885F2 677/4885POLB 3203/4885

“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.