SCHEMBL4872691

SCHEMBL4872691

O=C(Nc1ccc(OC(F)F)cc1)N1CCCCc2cc(F)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
POLB P06746 3/20 0.47
NPC1 O15118 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
THRB P10828 3/20 0.44
LMNA P02545 3/20 0.44
TP53 P04637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALOX15 P16050 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL4865684 0.85 PDK1 (0.56) MAPTPOLBHTTHTR2CHTR2B
SCHEMBL4863111 0.85 MAPT (0.49) MAPTPOLBHTR2CHTR2BHDAC1
SCHEMBL4869665 0.84 HDAC1 (0.49) MAPTPOLBHTTHTR2CHTR2B
SCHEMBL4860668 0.84 TP53 (0.58) MAPTPOLBNPC1HTTRAB9A
SCHEMBL4870713 0.82 HTR2C (0.53) MAPTHTR2CHTR2BHDAC1HDAC6
SCHEMBL4871838 0.81 TP53 (0.58) MAPTPOLBHTR2CHTR2BHDAC1
SCHEMBL4869687 0.81 PDK1 (0.53) MAPTPOLBHTTALDH1A1MAPK1
SCHEMBL4863029 0.81 TP53 (0.53) MAPTPOLBALDH1A1THRBLMNA
SCHEMBL4870684 0.77 MAPT (0.67) MAPTPOLBNPC1HTTRAB9A
SCHEMBL4863814 0.76 PDK1 (0.56) MAPTPOLBALDH1A1THRBLMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368444-B2 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-06 US disclosed
US-20050101600-A1 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 US disclosed
EP-1475368-A1 N-CARBAMOYL NITROGEN-CONTAINING FUSED RING COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-11-10 EP 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-20050101600-A1 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient CNR1, CNR2, NPSR1 MAPT 3398/4885POLB 2390/4885NPC1 630/4885

“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.