SCHEMBL4870003

SCHEMBL4870003

O=C(NCCOc1ccccc1)N1CCCCc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.62
TP53 P04637 3/20 0.56
LMNA P02545 2/20 0.56
MAPT P10636 5/20 0.53
POLB P06746 3/20 0.53
ALDH1A1 P00352 3/20 0.53
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
RECQL P46063 1/20 0.51
PRMT5 O14744 1/20 0.51
WDR77 Q9BQA1 1/20 0.51
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 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
SCHEMBL4865042 0.96 TSHR (0.64) TSHRTP53LMNAMAPTPOLB
SCHEMBL445811 0.85 MAPT (0.58) TSHRTP53LMNAMAPTPOLB
SCHEMBL4863262 0.84 TP53 (0.54) TSHRTP53LMNAMAPTPOLB
SCHEMBL4251082 0.83 MAPT (0.56) TSHRTP53LMNAMAPTPOLB
SCHEMBL4869809 0.81 AVPR2 (0.58) TSHRTP53LMNAMAPTPOLB
SCHEMBL4867067 0.81 TP53 (0.55) TSHRTP53LMNAPOLBSMN1; SMN2
SCHEMBL447432 0.80 RAB9A (0.53) TSHRTP53LMNAMAPTPOLB
SCHEMBL4870794 0.80 MAPT (0.61) TP53LMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL4868521 0.80 TP53 (0.63) TP53LMNAMAPT
SCHEMBL4871945 0.80 AVPR2 (0.58) TSHRTP53LMNAMAPTPOLB

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 TSHR 261/4885TP53 4170/4885LMNA 2162/4885

“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.