SCHEMBL4869658

SCHEMBL4869658

O=C(NCc1ccccc1-c1ccccc1)N1CCCCc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
THRB P10828 2/20 0.54
LMNA P02545 2/20 0.53
AVPR2 P30518 5/20 0.53
OXTR P30559 2/20 0.53
AVPR1A P37288 2/20 0.53
TP53 P04637 1/20 0.53
PRMT5 O14744 1/20 0.50
WDR77 Q9BQA1 1/20 0.50
RECQL P46063 1/20 0.50
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL4870693 0.83 AVPR2 (0.57) POLBTHRBLMNAAVPR2TP53
SCHEMBL4870694 0.83 POLB (0.59) POLBTHRBLMNAAVPR2AVPR1A
SCHEMBL4867183 0.83 THRB (0.74) POLBTHRBLMNAAVPR2AVPR1A
SCHEMBL4863710 0.83 POLB (0.74) POLBTHRBLMNAAVPR2
SCHEMBL4865168 0.83 TP53 (0.71) POLBTHRBLMNAAVPR2TP53
SCHEMBL4870780 0.81 LMNA (0.56) POLBTHRBLMNATP53PRMT5
SCHEMBL4870828 0.81 THRB (0.55) POLBTHRBLMNAAVPR2TP53
SCHEMBL4871140 0.81 ATM (0.56) POLBTHRBLMNAAVPR2TP53
SCHEMBL4867266 0.81 MEN1 (0.65) POLBTHRBLMNATP53MAPT
SCHEMBL4867174 0.81 THRB (0.53) POLBTHRBLMNAAVPR2TP53

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 POLB 2390/4885THRB 1930/4885LMNA 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.