SCHEMBL4868484

SCHEMBL4868484

CN(C(=O)N1CCCCc2ccccc21)C1CCCO1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 9/20 0.50
AVPR1A P37288 8/20 0.50
NOTUM Q6P988 1/20 0.48
USP30 Q70CQ3 1/20 0.47
TSHR P16473 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 2/20 0.46
OXTR P30559 3/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 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
SCHEMBL8563605 0.74 NOTUM (0.69) AVPR2AVPR1ANOTUMTSHRSMN1; SMN2
SCHEMBL4868900 0.73 AVPR2 (0.46) AVPR2AVPR1ANOTUMUSP30TSHR
SCHEMBL4863683 0.72 AVPR2 (0.57) AVPR2AVPR1ANOTUMTSHRSMN1; SMN2
SCHEMBL4861709 0.71 AVPR2 (0.52) AVPR2AVPR1ANOTUMTSHRSMN1; SMN2
SCHEMBL4868487 0.71 ALDH1A1 (0.64) TSHRSMN1; SMN2ALDH1A1KDM4EPOLB
SCHEMBL5423105 0.71 NOTUM (0.90) AVPR2AVPR1ANOTUMTSHRSMN1; SMN2
SCHEMBL4870729 0.71 MAPT (0.54) AVPR2AVPR1ANOTUMSMN1; SMN2ALDH1A1
SCHEMBL30456228 0.69 SMN1; SMN2 (0.69) AVPR2AVPR1ANOTUMTSHRSMN1; SMN2
SCHEMBL4867268 0.69 TSHR (0.55) AVPR2AVPR1ANOTUMTSHRSMN1; SMN2
SCHEMBL4870770 0.68 AVPR2 (0.51) AVPR2AVPR1ANOTUMTSHRSMN1; SMN2

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 276/4885NOTUM 759/4885

“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.