SCHEMBL4865138

SCHEMBL4865138

CCN(C(=O)CCCNC(=O)N1CCCCc2ccccc21)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 3/20 0.46
OXTR P30559 2/20 0.46
AVPR1A P37288 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 2/20 0.45
TP53 P04637 2/20 0.45
PRMT5 O14744 1/20 0.45
WDR77 Q9BQA1 1/20 0.45
MAPT P10636 1/20 0.44
POLB P06746 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
SCHEMBL14089575 0.88 AVPR2 (0.49) AVPR2OXTRAVPR1AMEN1KMT2A
SCHEMBL4863033 0.86 AVPR2 (0.48) AVPR2OXTRAVPR1AMEN1KMT2A
SCHEMBL4863777 0.84 KMT2A (0.55) AVPR2MEN1KMT2ALMNATP53
SCHEMBL4868271 0.83 KMT2A (0.52) AVPR2MEN1KMT2ALMNATP53
SCHEMBL4865179 0.81 GFER (0.53) AVPR2MEN1KMT2ALMNATP53
SCHEMBL4865660 0.81 TP53 (0.49) AVPR2OXTRAVPR1ALMNATP53
SCHEMBL4870861 0.80 AVPR2 (0.49) AVPR2OXTRAVPR1AMEN1KMT2A
SCHEMBL4863318 0.80 AVPR2 (0.58) AVPR2OXTRAVPR1ALMNATP53
SCHEMBL4869903 0.80 AVPR2 (0.58) AVPR2OXTRAVPR1ALMNATP53
SCHEMBL4869809 0.79 AVPR2 (0.58) AVPR2OXTRAVPR1AMEN1KMT2A

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 AVPR2 124/4885OXTR 96/4885AVPR1A 276/4885

“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.