SCHEMBL4861824

SCHEMBL4861824

CC1CCCN(C(=O)Nc2ccc(O)cc2)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 5/20 0.46
TP53 P04637 4/20 0.46
NPC1 O15118 3/20 0.46
NFKB1 P19838 3/20 0.46
RAB9A P51151 3/20 0.46
NFKB2 Q00653 3/20 0.46
RELA Q04206 3/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
AVPR2 P30518 4/20 0.45
AVPR1A P37288 4/20 0.45
PKM P14618 2/20 0.44
MAOB P27338 1/20 0.44
P2RY1 P47900 1/20 0.44
NOTUM Q6P988 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
SCHEMBL4867516 0.86 AVPR2 (0.56) MAPTSMN1; SMN2TP53NPC1NFKB1
SCHEMBL4870743 0.85 MAPT (0.46) MAPTSMN1; SMN2TP53NPC1NFKB1
SCHEMBL4869815 0.79 MAPT (0.43) MAPTSMN1; SMN2TP53NPC1NFKB1
SCHEMBL4867117 0.77 AVPR2 (0.56) MAPTSMN1; SMN2TP53NPC1NFKB1
SCHEMBL4871884 0.76 NPC1 (0.53) MAPTSMN1; SMN2TP53NPC1NFKB1
SCHEMBL4865006 0.75 NPC1 (0.52) MAPTSMN1; SMN2TP53NPC1NFKB1
SCHEMBL4863076 0.74 MAPT (0.69) MAPTSMN1; SMN2TP53NPC1NFKB1
Hydrochloric Acid SCHEMBL4871067 0.74 NPC1 (0.51) MAPTSMN1; SMN2TP53NPC1NFKB1
SCHEMBL13119088 0.74 AVPR2 (0.51) ALDH1A1AVPR2AVPR1ANOTUMABCB11
SCHEMBL7352235 0.74 AVPR2 (0.81) AVPR2AVPR1AABCB11HTR1ACHRM1

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 MAPT 3398/4885SMN1; SMN2 2595/4885TP53 4170/4885

“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.