SCHEMBL4871945

SCHEMBL4871945

O=C(NCCCc1ccccc1)N1CCCCc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 2/20 0.58
OXTR P30559 2/20 0.58
AVPR1A P37288 2/20 0.58
NAMPT P43490 3/20 0.57
TP53 P04637 2/20 0.57
NPC1 O15118 1/20 0.55
MAPT P10636 1/20 0.55
TSHR P16473 1/20 0.55
NFKB1 P19838 1/20 0.55
MAPK1 P28482 1/20 0.55
RAB9A P51151 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
POLB P06746 3/20 0.52
RECQL P46063 1/20 0.52
PRMT5 O14744 1/20 0.52
WDR77 Q9BQA1 1/20 0.52
LMNA P02545 1/20 0.52
EPHX2 P34913 2/20 0.50

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
SCHEMBL4869628 0.96 NAMPT (0.58) AVPR2OXTRAVPR1ANAMPTTP53
SCHEMBL17117194 0.96 NAMPT (0.59) AVPR2OXTRAVPR1ANAMPTTP53
SCHEMBL17117363 0.93 NAMPT (0.60) AVPR2OXTRAVPR1ANAMPTTP53
SCHEMBL17117468 0.91 MAPT (0.66) NAMPTTP53NPC1MAPTTSHR
SCHEMBL29789700 0.89 POLB (0.59) TP53NPC1MAPTTSHRNFKB1
SCHEMBL17117238 0.88 NPC1 (0.64) NAMPTTP53NPC1MAPTTSHR
SCHEMBL4866080 0.85 PRMT5 (0.54) TP53MAPTTSHRSMN1; SMN2POLB
SCHEMBL4865168 0.85 TP53 (0.71) AVPR2TP53MAPTSMN1; SMN2POLB
SCHEMBL4870647 0.84 TP53 (0.62) TP53MAPTPOLBRECQLPRMT5
SCHEMBL4864926 0.84 TP53 (0.53) AVPR2TP53NPC1NFKB1MAPK1

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 4 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 claimed
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.