SCHEMBL4869962

SCHEMBL4869962

CC1CCC(NC(=O)N2CCCCc3ccccc32)CC1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.74
SMN1; SMN2 Q16637 4/20 0.67
NPC1 O15118 1/20 0.67
RAB9A P51151 1/20 0.67
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
NOTUM Q6P988 1/20 0.55
POLB P06746 4/20 0.53
RECQL P46063 1/20 0.53
MAPT P10636 1/20 0.52
LMNA P02545 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 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
SCHEMBL4871280 0.90 TSHR (0.92) TSHRSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL4870617 0.88 TSHR (0.95) TSHRSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL4863867 0.88 TSHR (0.95) TSHRSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL4869603 0.88 TSHR (0.95) TSHRSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL4871303 0.87 TSHR (0.70) TSHRSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL4867001 0.85 TSHR (0.71) TSHRSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL4866989 0.85 TSHR (0.71) TSHRSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL4870436 0.85 TSHR (0.71) TSHRSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL4871254 0.83 TSHR (0.71) TSHRSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL4867681 0.81 TSHR (0.65) TSHRSMN1; SMN2NPC1RAB9AMEN1

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 261/4885SMN1; SMN2 2595/4885NPC1 630/4885

“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.