SCHEMBL4870770

SCHEMBL4870770

CN(C(=O)N1CCCCc2ccccc21)c1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 9/20 0.51
AVPR1A P37288 8/20 0.51
NOTUM Q6P988 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
OXTR P30559 3/20 0.47
SIGMAR1 Q99720 2/20 0.47
POLB P06746 1/20 0.45
LMNA P02545 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
THRB P10828 1/20 0.44

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
SCHEMBL6769984 0.78 SIGMAR1 (0.55) NOTUMSMN1; SMN2SIGMAR1POLBLMNA
SCHEMBL4863683 0.78 AVPR2 (0.57) AVPR2AVPR1ANOTUMSMN1; SMN2OXTR
SCHEMBL8563605 0.75 NOTUM (0.69) AVPR2AVPR1ANOTUMSMN1; SMN2SIGMAR1
SCHEMBL4861709 0.75 AVPR2 (0.52) AVPR2AVPR1ANOTUMSMN1; SMN2OXTR
SCHEMBL4867268 0.75 TSHR (0.55) AVPR2AVPR1ANOTUMSMN1; SMN2OXTR
SCHEMBL4870729 0.74 MAPT (0.54) AVPR2AVPR1ANOTUMSMN1; SMN2OXTR
SCHEMBL18770186 0.72 ATM (0.66) NOTUMSMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL5423105 0.72 NOTUM (0.90) AVPR2AVPR1ANOTUMSMN1; SMN2OXTR
SCHEMBL4870780 0.71 LMNA (0.56) POLBLMNATHRB
SCHEMBL30456228 0.70 SMN1; SMN2 (0.69) AVPR2AVPR1ANOTUMSMN1; SMN2OXTR

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.