SCHEMBL4869035

SCHEMBL4869035

O=C(NCC(=O)N(c1ccc(F)cc1)C1CC1)N1CCCCc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
LMNA P02545 2/20 0.45
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TP53 P04637 2/20 0.44
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
AVPR2 P30518 2/20 0.43
AVPR1A P37288 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 2/20 0.43
PDE4B Q07343 1/20 0.42
PDE4D Q08499 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.41

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
SCHEMBL4870703 0.90 TSHR (0.44) TSHRLMNAMAPTNPSR1TP53
SCHEMBL4870861 0.83 AVPR2 (0.49) LMNAMAPTTP53PRMT5WDR77
SCHEMBL4861652 0.82 TP53 (0.47) LMNATP53PRMT5WDR77AVPR2
SCHEMBL4871179 0.82 TSHR (0.46) TSHRLMNAMAPTNPSR1TP53
SCHEMBL4872473 0.81 TSHR (0.44) TSHRLMNAMAPTNPSR1TP53
SCHEMBL4869441 0.78 TP53 (0.61) LMNAMAPTTP53PRMT5WDR77
SCHEMBL4863033 0.76 AVPR2 (0.48) LMNAMAPTTP53PRMT5WDR77
SCHEMBL4870765 0.75 AVPR2 (0.54) LMNAMAPTTP53AVPR2AVPR1A
SCHEMBL4868668 0.75 AVPR2 (0.47) LMNAMAPTTP53PRMT5WDR77
SCHEMBL4870809 0.74 TP53 (0.47) LMNATP53PRMT5WDR77AVPR2

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 TSHR 261/4885LMNA 2162/4885MAPT 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.