SCHEMBL4872554

SCHEMBL4872554

O=C(NCC1CCN(c2ccccc2)CC1)N1CCCCc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.61
MAPT P10636 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
AVPR2 P30518 3/20 0.53
POLB P06746 4/20 0.51
TSHR P16473 1/20 0.51
RECQL P46063 1/20 0.51
PRMT5 O14744 4/20 0.48
WDR77 Q9BQA1 4/20 0.48
TP53 P04637 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
OXTR P30559 1/20 0.46
AVPR1A P37288 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL4870718 0.87 LMNA (0.72) LMNAMAPTNPSR1POLBTSHR
SCHEMBL4871254 0.83 TSHR (0.71) MAPTNPSR1AVPR2POLBTSHR
SCHEMBL1861546 0.80 MAPT (0.83) LMNAMAPTNPSR1POLBTSHR
SCHEMBL4868650 0.80 TSHR (0.66) MAPTNPSR1AVPR2POLBTSHR
SCHEMBL4868487 0.76 ALDH1A1 (0.64) LMNAMAPTNPSR1POLBTSHR
SCHEMBL4865168 0.76 TP53 (0.71) LMNAMAPTAVPR2POLBRECQL
SCHEMBL4869985 0.76 TSHR (0.60) LMNAMAPTNPSR1POLBTSHR
SCHEMBL4071616 0.75 ADRA1D (0.51) MAPTTSHRKDM4EALDH1A1
SCHEMBL4870649 0.75 TSHR (0.65) LMNAAVPR2POLBTSHRRECQL
SCHEMBL22527576 0.74 MAPT (0.59) LMNAMAPTNPSR1POLBTSHR

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 LMNA 2162/4885MAPT 3398/4885NPSR1 3/4885

“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.