SCHEMBL4867650

SCHEMBL4867650

O=C(N1CCN(c2ccccc2)CC1)N1CCCCc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 9/20 0.62
AVPR1A P37288 7/20 0.57
SMN1; SMN2 Q16637 1/20 0.54
OXTR P30559 2/20 0.53
AKR1C3 P42330 2/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
NOTUM Q6P988 1/20 0.51
HSD11B1 P28845 3/20 0.49
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49

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
SCHEMBL15963216 0.85 AVPR1A (0.74) AVPR2AVPR1ASMN1; SMN2AKR1C3
SCHEMBL28508464 0.79 NOTUM (0.62) SMN1; SMN2NOTUM
SCHEMBL4866071 0.79 HSD11B1 (0.55) AVPR2AVPR1AOXTRHSD11B1
SCHEMBL30456228 0.78 SMN1; SMN2 (0.69) AVPR2AVPR1ASMN1; SMN2OXTRNOTUM
SCHEMBL4019697 0.77 SMN1; SMN2 (0.79) SMN1; SMN2NOTUM
SCHEMBL4871254 0.76 TSHR (0.71) AVPR2AVPR1ASMN1; SMN2OXTRNOTUM
SCHEMBL11193055 0.76 AKR1C3 (0.73) SMN1; SMN2AKR1C3CYP2C9CYP2C19
SCHEMBL5421718 0.76 HSD11B1 (0.78) SMN1; SMN2NOTUMHSD11B1
SCHEMBL1858662 0.76 HSD11B1 (0.61) SMN1; SMN2NOTUMHSD11B1
SCHEMBL27792690 0.75 AKR1C3 (0.82) AKR1C3CYP2C9CYP2C19

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 276/4885SMN1; 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.