SCHEMBL4865006

SCHEMBL4865006

O=C(Nc1ccccc1)N1CCCC(c2ccccc2)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.52
RAB9A P51151 6/20 0.52
SMN1; SMN2 Q16637 6/20 0.52
TP53 P04637 6/20 0.52
NFKB1 P19838 3/20 0.52
NFKB2 Q00653 3/20 0.52
RELA Q04206 3/20 0.52
PKM P14618 1/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 5/20 0.45
MAPT P10636 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
DGAT1 O75907 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 1/20 0.43
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 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 0.84 AVPR2 (0.56) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL4871884 0.83 NPC1 (0.53) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL4863156 0.83 CYP1A2 (0.54) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL4865634 0.83 KDM4E (0.61) NPC1RAB9ASMN1; SMN2TP53NFKB1
Hydrochloric Acid SCHEMBL4871067 0.81 NPC1 (0.51) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL4870689 0.80 NPC1 (0.50) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL4869477 0.80 NPC1 (0.50) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL4867516 0.76 AVPR2 (0.56) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL4863835 0.76 MAPT (0.47) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL4861824 0.75 MAPT (0.48) NPC1RAB9ASMN1; SMN2TP53NFKB1

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 NPC1 630/4885RAB9A 4025/4885SMN1; SMN2 2595/4885

“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.