SCHEMBL4868207

SCHEMBL4868207

O=C(Nc1ccc(O)c(Cc2ccccc2)c1)N1CCCCc2sccc21

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 7/20 0.47
AVPR1B P47901 5/20 0.47
AVPR2 P30518 3/20 0.46
TP53 P04637 2/20 0.44
LMNA P02545 3/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 2/20 0.41
THRB P10828 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
SCHEMBL4869978 0.79 FAAH (0.53) AVPR1AAVPR1BAVPR2TP53MEN1
SCHEMBL4863182 0.77 AVPR1A (0.53) AVPR1AAVPR1BAVPR2TP53LMNA
SCHEMBL6991954 0.71 AVPR1A (0.65) AVPR1AAVPR1BAVPR2TP53MEN1
SCHEMBL10996089 0.70 MEN1 (0.54) MEN1KMT2A
SCHEMBL19454437 0.69 NPC1 (0.57) AVPR1AAVPR1BAVPR2MEN1KMT2A
SCHEMBL8416762 0.66 GAA (0.53) LMNAMEN1KMT2APOLB
SCHEMBL4868466 0.66 MAPT (0.69) TP53LMNAMEN1HTTKMT2A
SCHEMBL4868982 0.66 MEN1 (0.60) TP53LMNAMEN1HTTKMT2A
SCHEMBL4870679 0.66 TP53 (0.67) AVPR1AAVPR2TP53LMNAMEN1
SCHEMBL6988048 0.66 NAAA (0.55) AVPR1AAVPR1BAVPR2HTTPOLB

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 AVPR1A 276/4885AVPR1B 189/4885AVPR2 124/4885

“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.