SCHEMBL4869985

SCHEMBL4869985

O=C(NCCC1CCCCC1)N1CCCCc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.60
LMNA P02545 1/20 0.59
MAPT P10636 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
POLB P06746 4/20 0.53
PRMT5 O14744 4/20 0.51
WDR77 Q9BQA1 4/20 0.51
TP53 P04637 1/20 0.48
RECQL P46063 1/20 0.48
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 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
SCHEMBL4870718 0.88 LMNA (0.72) TSHRLMNAMAPTNPSR1SMN1; SMN2
SCHEMBL4869809 0.81 AVPR2 (0.58) TSHRLMNAMAPTSMN1; SMN2POLB
SCHEMBL1861546 0.80 MAPT (0.83) TSHRLMNAMAPTNPSR1SMN1; SMN2
SCHEMBL4866080 0.79 PRMT5 (0.54) TSHRLMNAMAPTNPSR1SMN1; SMN2
SCHEMBL4870617 0.79 TSHR (0.95) TSHRMAPTNPSR1SMN1; SMN2NPC1
SCHEMBL4869603 0.79 TSHR (0.95) TSHRMAPTNPSR1SMN1; SMN2NPC1
SCHEMBL4863867 0.79 TSHR (0.95) TSHRMAPTNPSR1SMN1; SMN2NPC1
SCHEMBL4867067 0.78 TP53 (0.55) TSHRLMNASMN1; SMN2NPC1RAB9A
SCHEMBL4872586 0.78 POLB (0.72) TSHRLMNAMAPTPOLBPRMT5
SCHEMBL4868471 0.78 PRMT5 (0.55) TSHRLMNAMAPTNPSR1SMN1; SMN2

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 4 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 claimed
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 261/4885LMNA 2162/4885MAPT 3398/4885

“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.