SCHEMBL4865602

SCHEMBL4865602

O=C(NCc1cccc(F)c1)N1CCCCc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.62
CHRM4 P08173 1/20 0.62
CHRM1 P11229 1/20 0.62
CHRM3 P20309 1/20 0.62
LMNA P02545 3/20 0.58
THRB P10828 2/20 0.58
TP53 P04637 2/20 0.57
AVPR2 P30518 4/20 0.56
PDE4B Q07343 1/20 0.53
PRMT5 O14744 1/20 0.49
WDR77 Q9BQA1 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL4862510 0.91 TP53 (0.56) CHRM2CHRM4CHRM1CHRM3LMNA
SCHEMBL4869441 0.88 TP53 (0.61) LMNATHRBTP53AVPR2PDE4B
SCHEMBL4865988 0.87 AVPR2 (0.60) LMNATHRBTP53AVPR2PRMT5
SCHEMBL4865168 0.87 TP53 (0.71) LMNATHRBTP53AVPR2PRMT5
SCHEMBL4865047 0.86 LMNA (0.75) LMNATHRBTP53AVPR2MEN1
SCHEMBL4869545 0.86 LMNA (0.58) LMNATHRBTP53AVPR2PDE4B
SCHEMBL4860748 0.85 TP53 (0.55) LMNATHRBTP53AVPR2MEN1
SCHEMBL4871029 0.85 TP53 (0.55) CHRM2CHRM4CHRM1CHRM3LMNA
SCHEMBL4869645 0.84 LMNA (0.78) LMNATHRBTP53AVPR2
SCHEMBL4863220 0.83 AVPR2 (0.50) LMNATHRBTP53AVPR2PDE4B

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 CHRM2 396/4885CHRM4 566/4885CHRM1 368/4885

“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.