SCHEMBL4871191

SCHEMBL4871191

S=C(N1CCCCc2ccccc21)n1ccnc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.49
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
SIGMAR1 Q99720 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
AVPR2 P30518 9/20 0.45
AVPR1A P37288 8/20 0.45
OXTR P30559 4/20 0.45
POLB P06746 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
NOTUM Q6P988 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
SCHEMBL1855923 0.80 SMN1; SMN2 (0.57) MAPTSIGMAR1SMN1; SMN2POLBHSD17B10
SCHEMBL5648271 0.74 NOTUM (0.53) MGLLMAPTMAPK1SIGMAR1POLB
SCHEMBL31631192 0.69 LMNA (0.37) MGLLPOLBLMNA
SCHEMBL4871870 0.69 MAPT (0.57) MGLLMAPTMAPK1SIGMAR1SMN1; SMN2
SCHEMBL5356749 0.69 MAPT (0.73) MGLLMAPTMAPK1SIGMAR1SMN1; SMN2
SCHEMBL29676009 0.67 MGLL (0.68) MGLLMAPTMAPK1SIGMAR1SMN1; SMN2
SCHEMBL6628020 0.67 MGLL (0.68) MGLLMAPTMAPK1SIGMAR1SMN1; SMN2
SCHEMBL30456228 0.67 SMN1; SMN2 (0.69) MAPTSIGMAR1SMN1; SMN2AVPR2AVPR1A
SCHEMBL29941498 0.67 MGLL (0.62) MGLLMAPTMAPK1SIGMAR1SMN1; SMN2
SCHEMBL23690523 0.67 CA1 (0.35) MGLLMAPTMAPK1SMN1; SMN2HSD17B10

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 MGLL 2111/4885MAPT 3398/4885MAPK1 2006/4885

“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.