SCHEMBL4866071

SCHEMBL4866071

O=C(N1CCC(Nc2ccccc2)CC1)N1CCCCc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.55
AVPR1A P37288 6/20 0.51
AVPR2 P30518 5/20 0.51
OXTR P30559 2/20 0.51
TSHR P16473 1/20 0.51

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
SCHEMBL4866989 0.83 TSHR (0.71) AVPR1AAVPR2OXTRTSHR
SCHEMBL4867001 0.83 TSHR (0.71) AVPR1AAVPR2OXTRTSHR
SCHEMBL4870436 0.83 TSHR (0.71) AVPR1AAVPR2OXTRTSHR
SCHEMBL1858662 0.79 HSD11B1 (0.61) HSD11B1TSHR
SCHEMBL5421718 0.79 HSD11B1 (0.78) HSD11B1TSHR
SCHEMBL4867650 0.79 AVPR2 (0.62) HSD11B1AVPR1AAVPR2OXTR
SCHEMBL16448032 0.76 HSD11B1 (0.57) HSD11B1TSHR
SCHEMBL8641006 0.75 NPC1 (0.46)
SCHEMBL28508464 0.74 NOTUM (0.62) TSHR
SCHEMBL4867471 0.74 TP53 (0.81)

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 HSD11B1 365/4885AVPR1A 276/4885AVPR2 124/4885

“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.