SCHEMBL4863111

SCHEMBL4863111

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

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
HTR2C P28335 1/20 0.48
HTR2B P41595 1/20 0.48
TP53 P04637 4/20 0.48
LMNA P02545 2/20 0.48
THRB P10828 1/20 0.46
POLB P06746 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HRH3 Q9Y5N1 2/20 0.45
FPR1 P21462 2/20 0.44
FPR2 P25090 2/20 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
SCHEMBL4863029 0.87 TP53 (0.53) MAPTTP53LMNATHRBPOLB
SCHEMBL4865684 0.85 PDK1 (0.56) MAPTHTR2CHTR2BTP53LMNA
SCHEMBL4872691 0.85 MAPT (0.49) MAPTHTR2CHTR2BTP53LMNA
SCHEMBL4869665 0.84 HDAC1 (0.49) MAPTHTR2CHTR2BTP53LMNA
SCHEMBL4860668 0.84 TP53 (0.58) MAPTHTR2CHTR2BTP53LMNA
SCHEMBL4870713 0.82 HTR2C (0.53) MAPTHTR2CHTR2BHDAC1HDAC6
SCHEMBL4871838 0.81 TP53 (0.58) MAPTHTR2CHTR2BTP53LMNA
SCHEMBL4869687 0.81 PDK1 (0.53) MAPTTP53LMNATHRBPOLB
SCHEMBL4863814 0.81 PDK1 (0.56) MAPTTP53LMNATHRBPOLB
SCHEMBL4868920 0.79 TP53 (0.53) MAPTTP53LMNATHRBPOLB

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 3398/4885HTR2C 323/4885HTR2B 349/4885

“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.