SCHEMBL4870649

SCHEMBL4870649

O=C(NC1CCN(c2ccc(F)cc2)CC1)N1CCCCc2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.65
RAB9A P51151 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
NPC1 O15118 2/20 0.59
AVPR2 P30518 3/20 0.55
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 1/20 0.49
PDE4B Q07343 1/20 0.48
PDE4D Q08499 1/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 3/20 0.47
RECQL P46063 1/20 0.47

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
SCHEMBL4871254 0.91 TSHR (0.71) TSHRRAB9ASMN1; SMN2NPC1AVPR2
SCHEMBL4868028 0.89 TSHR (0.61) TSHRRAB9ASMN1; SMN2NPC1AVPR2
SCHEMBL4871829 0.87 TSHR (0.54) TSHRRAB9ASMN1; SMN2NPC1AVPR2
SCHEMBL4871766 0.87 TSHR (0.68) TSHRRAB9ASMN1; SMN2NPC1AVPR2
SCHEMBL4871897 0.86 MAPT (0.63) TSHRRAB9ASMN1; SMN2NPC1AVPR2
SCHEMBL4868650 0.85 TSHR (0.66) TSHRRAB9ASMN1; SMN2NPC1AVPR2
SCHEMBL4871280 0.84 TSHR (0.92) TSHRRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL4863867 0.82 TSHR (0.95) TSHRRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL4870617 0.82 TSHR (0.95) TSHRRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL4869603 0.82 TSHR (0.95) TSHRRAB9ASMN1; SMN2NPC1MEN1

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 TSHR 261/4885RAB9A 4025/4885SMN1; 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.