SCHEMBL4866989

SCHEMBL4866989

O=C(N[C@H]1CC[C@@H](Nc2ccccc2)CC1)N1CCCCc2ccccc21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.71
SMN1; SMN2 Q16637 3/20 0.64
NPC1 O15118 2/20 0.64
RAB9A P51151 2/20 0.64
POLB P06746 2/20 0.54
RECQL P46063 1/20 0.54
TP53 P04637 1/20 0.52
PKM P14618 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
AVPR1A P37288 2/20 0.51
AVPR2 P30518 1/20 0.51
OXTR P30559 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPK1 P28482 1/20 0.50

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
SCHEMBL4867001 1.00 TSHR (0.71) TSHRSMN1; SMN2NPC1RAB9APOLB
SCHEMBL4870436 1.00 TSHR (0.71) TSHRSMN1; SMN2NPC1RAB9APOLB
SCHEMBL4871280 0.87 TSHR (0.92) TSHRSMN1; SMN2NPC1RAB9APOLB
SCHEMBL4863867 0.86 TSHR (0.95) TSHRSMN1; SMN2NPC1RAB9APOLB
SCHEMBL4869603 0.86 TSHR (0.95) TSHRSMN1; SMN2NPC1RAB9APOLB
SCHEMBL4870617 0.86 TSHR (0.95) TSHRSMN1; SMN2NPC1RAB9APOLB
SCHEMBL4869962 0.85 TSHR (0.74) TSHRSMN1; SMN2NPC1RAB9APOLB
SCHEMBL4871254 0.83 TSHR (0.71) TSHRSMN1; SMN2NPC1RAB9APOLB
SCHEMBL4866071 0.83 HSD11B1 (0.55) TSHRAVPR1AAVPR2OXTR
SCHEMBL4865059 0.81 TSHR (0.67) 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 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 261/4885SMN1; 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.