SCHEMBL4867516

SCHEMBL4867516

O=C(Nc1ccc(O)cc1)N1CCCC(O)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 10/20 0.56
AVPR1A P37288 10/20 0.56
MAPT P10636 1/20 0.46
NPC1 O15118 2/20 0.45
TP53 P04637 2/20 0.45
NFKB1 P19838 2/20 0.45
RAB9A P51151 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
PKM P14618 1/20 0.45
OXTR P30559 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL4867117 0.91 AVPR2 (0.56) AVPR2AVPR1AMAPTNPC1TP53
SCHEMBL4870743 0.86 MAPT (0.46) AVPR2AVPR1AMAPTNPC1TP53
SCHEMBL4861824 0.86 MAPT (0.48) AVPR2AVPR1AMAPTNPC1TP53
SCHEMBL4869815 0.78 MAPT (0.43) AVPR2AVPR1AMAPTNPC1TP53
SCHEMBL4871884 0.77 NPC1 (0.53) MAPTNPC1TP53NFKB1RAB9A
SCHEMBL4865006 0.76 NPC1 (0.52) MAPTNPC1TP53NFKB1RAB9A
SCHEMBL4863076 0.75 MAPT (0.69) AVPR1AMAPTNPC1TP53NFKB1
Hydrochloric Acid SCHEMBL4871067 0.75 NPC1 (0.51) MAPTNPC1TP53NFKB1RAB9A
SCHEMBL4871151 0.74 MAPT (0.67) AVPR1AMAPTNPC1TP53NFKB1
SCHEMBL4870689 0.74 NPC1 (0.50) MAPTNPC1TP53NFKB1RAB9A

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 124/4885AVPR1A 276/4885MAPT 3398/4885

“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.