SCHEMBL4863683

SCHEMBL4863683

CN(C(=O)N1CCCCc2ccccc21)c1ncccn1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 11/20 0.57
AVPR1A P37288 9/20 0.57
OXTR P30559 5/20 0.57
NOTUM Q6P988 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
GAA P10253 1/20 0.51
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
POLB P06746 1/20 0.49
MEN1 O00255 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 1/20 0.47
MAPK1 P28482 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
SCHEMBL8563605 0.79 NOTUM (0.69) AVPR2AVPR1ANOTUMSMN1; SMN2ALDH1A1
SCHEMBL4867268 0.79 TSHR (0.55) AVPR2AVPR1AOXTRNOTUMSMN1; SMN2
SCHEMBL4861709 0.79 AVPR2 (0.52) AVPR2AVPR1AOXTRNOTUMSMN1; SMN2
SCHEMBL4870729 0.78 MAPT (0.54) AVPR2AVPR1AOXTRNOTUMSMN1; SMN2
SCHEMBL4870770 0.78 AVPR2 (0.51) AVPR2AVPR1AOXTRNOTUMSMN1; SMN2
SCHEMBL5423105 0.75 NOTUM (0.90) AVPR2AVPR1AOXTRNOTUMSMN1; SMN2
SCHEMBL30456228 0.74 SMN1; SMN2 (0.69) AVPR2AVPR1AOXTRNOTUMSMN1; SMN2
SCHEMBL4868227 0.72 POLB (0.60) AVPR2AVPR1ANOTUMSMN1; SMN2POLB
SCHEMBL4863174 0.72 SMN1; SMN2 (0.67) AVPR2AVPR1AOXTRNOTUMSMN1; SMN2
SCHEMBL4376794 0.72 POLB (0.69) NOTUMSMN1; SMN2KDM4EALDH1A1POLB

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.