SCHEMBL4870145

SCHEMBL4870145

CN(C)c1ccc(NC(=O)N2CCCCc3ccccc32)cc1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.77
AVPR1A P37288 2/20 0.68
AVPR2 P30518 1/20 0.68
MAPT P10636 3/20 0.67
POLB P06746 4/20 0.64
NPC1 O15118 3/20 0.62
NFKB1 P19838 3/20 0.62
RAB9A P51151 3/20 0.62
NFKB2 Q00653 3/20 0.62
RELA Q04206 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
LMNA P02545 2/20 0.61
THRB P10828 1/20 0.61
PKM P14618 2/20 0.60
MAOB P27338 1/20 0.59

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
SCHEMBL4863126 0.86 POLB (0.83) TP53AVPR1AMAPTPOLBNPC1
SCHEMBL4869602 0.86 MAPT (0.71) TP53AVPR1AAVPR2MAPTPOLB
SCHEMBL4867471 0.86 TP53 (0.81) TP53MAPTPOLBNPC1NFKB1
SCHEMBL4863076 0.85 MAPT (0.69) TP53AVPR1AMAPTPOLBNPC1
SCHEMBL4869023 0.84 TP53 (0.78) TP53MAPTPOLBNPC1NFKB1
SCHEMBL4870033 0.84 MAPT (0.93) TP53MAPTPOLBNPC1NFKB1
SCHEMBL4871838 0.84 TP53 (0.58) TP53AVPR1AAVPR2MAPTPOLB
SCHEMBL4870684 0.84 MAPT (0.67) TP53AVPR1AMAPTPOLBNPC1
SCHEMBL4871151 0.84 MAPT (0.67) TP53AVPR1AMAPTPOLBNPC1
SCHEMBL4870658 0.84 MAPT (0.67) TP53AVPR1AAVPR2MAPTPOLB

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 TP53 4170/4885AVPR1A 276/4885AVPR2 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.