SCHEMBL4861709

SCHEMBL4861709

CN(C(=O)N1CCCCc2ccccc21)c1ccco1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 9/20 0.52
AVPR1A P37288 7/20 0.52
ALDH1A1 P00352 3/20 0.50
MAPT P10636 3/20 0.50
NOTUM Q6P988 1/20 0.50
OXTR P30559 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
POLB P06746 2/20 0.47
USP2 O75604 1/20 0.47
ALOX15 P16050 1/20 0.47
RECQL P46063 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PDE4B Q07343 1/20 0.46
MEN1 O00255 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 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
SCHEMBL4870729 0.82 MAPT (0.54) AVPR2AVPR1AALDH1A1MAPTNOTUM
SCHEMBL4863683 0.79 AVPR2 (0.57) AVPR2AVPR1AALDH1A1NOTUMOXTR
SCHEMBL8563605 0.76 NOTUM (0.69) AVPR2AVPR1AALDH1A1MAPTNOTUM
SCHEMBL4867268 0.76 TSHR (0.55) AVPR2AVPR1AALDH1A1MAPTNOTUM
SCHEMBL4870770 0.75 AVPR2 (0.51) AVPR2AVPR1AALDH1A1NOTUMOXTR
SCHEMBL5423105 0.72 NOTUM (0.90) AVPR2AVPR1AALDH1A1MAPTNOTUM
SCHEMBL13473661 0.72 NOTUM (0.62) AVPR2AVPR1AALDH1A1MAPTNOTUM
SCHEMBL4868484 0.71 AVPR2 (0.50) AVPR2AVPR1AALDH1A1MAPTNOTUM
SCHEMBL30456228 0.71 SMN1; SMN2 (0.69) AVPR2AVPR1AALDH1A1MAPTNOTUM
SCHEMBL4861713 0.70 CHRM2 (0.61) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A

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 276/4885ALDH1A1 3990/4885

“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.