SCHEMBL4869922

SCHEMBL4869922

O=C(N1CCCCc2ccccc21)N(c1ccccc1)c1cc[nH]n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 10/20 0.46
AVPR1A P37288 7/20 0.46
OXTR P30559 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NOTUM Q6P988 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL4657473 0.79 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1POLBKMT2AMEN1
SCHEMBL28541092 0.76 POLB (0.61) SMN1; SMN2NOTUMALDH1A1POLBPKM
SCHEMBL30456228 0.71 SMN1; SMN2 (0.69) AVPR2AVPR1AOXTRSMN1; SMN2NOTUM
SCHEMBL4458935 0.70 NPSR1 (0.47) ALDH1A1POLBKMT2AMEN1HTT
SCHEMBL9530206 0.69 NOTUM (0.62) AVPR2AVPR1AOXTRSMN1; SMN2NOTUM
SCHEMBL4863683 0.69 AVPR2 (0.57) AVPR2AVPR1AOXTRSMN1; SMN2NOTUM
SCHEMBL8563605 0.68 NOTUM (0.69) AVPR2AVPR1ASMN1; SMN2NOTUMALDH1A1
SCHEMBL4870100 0.68 AVPR2 (0.54) AVPR2AVPR1AOXTRSMN1; SMN2NOTUM
SCHEMBL4871236 0.68 AVPR2 (0.54) AVPR2AVPR1AOXTRSMN1; SMN2NOTUM
SCHEMBL4863174 0.67 SMN1; SMN2 (0.67) AVPR2AVPR1AOXTRSMN1; SMN2NOTUM

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 AVPR2 124/4885AVPR1A 276/4885OXTR 96/4885

“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.