SCHEMBL4870100

SCHEMBL4870100

O=C(N(Cl)c1ccc(O)cc1)N1CCCCc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 12/20 0.54
AVPR1A P37288 8/20 0.54
SMN1; SMN2 Q16637 2/20 0.51
NOTUM Q6P988 1/20 0.49
OXTR P30559 4/20 0.48
POLB P06746 1/20 0.48
SPR P35270 1/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
TSHR P16473 1/20 0.46
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL4871236 0.85 AVPR2 (0.54) AVPR2AVPR1ASMN1; SMN2NOTUMOXTR
SCHEMBL4869514 0.81 MAPT (0.50) AVPR2AVPR1AOXTRPOLBALDH1A1
SCHEMBL4863174 0.74 SMN1; SMN2 (0.67) AVPR2AVPR1ASMN1; SMN2NOTUMOXTR
SCHEMBL4863076 0.74 MAPT (0.69) AVPR1ASMN1; SMN2POLBMAPTHTT
SCHEMBL4871151 0.73 MAPT (0.67) AVPR1ASMN1; SMN2POLBMAPTHTT
SCHEMBL30456228 0.73 SMN1; SMN2 (0.69) AVPR2AVPR1ASMN1; SMN2NOTUMOXTR
SCHEMBL4493929 0.72 ALDH1A1 (0.71) AVPR2AVPR1AOXTRALDH1A1TSHR
SCHEMBL8563605 0.72 NOTUM (0.69) AVPR2AVPR1ASMN1; SMN2NOTUMPOLB
SCHEMBL747651 0.72 SMN1; SMN2 (0.73) AVPR2AVPR1ASMN1; SMN2NOTUMOXTR
SCHEMBL4868734 0.72 TP53 (0.62) AVPR2SMN1; SMN2POLBMAPTTSHR

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 4 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 claimed
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 276/4885SMN1; SMN2 2595/4885

“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.