SCHEMBL1933707

SCHEMBL1933707

O=C(O)N(Cc1ccccc1)C12CCC(CO)(CC1)CC2

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
LMNA P02545 1/20 0.37
CNR2 P34972 1/20 0.36
CA2 P00918 1/20 0.36
ALDH1A1 P00352 3/20 0.36
TSHR P16473 1/20 0.35
GLA P06280 1/20 0.35
HTT P42858 1/20 0.35
PAX8 Q06710 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL2836772 0.91 NPSR1 (0.39) NPSR1NPC1RAB9ACA12CA9
SCHEMBL1934274 0.82 AKT1 (0.41) NPSR1CA12KMT2AMEN1HTT
SCHEMBL17085678 0.79 CNR2 (0.41) NPSR1NPC1RAB9ACA12CA9
SCHEMBL1934801 0.79 NPSR1 (0.37) NPSR1NPC1RAB9ACA12CA9
SCHEMBL2833020 0.78 MEN1 (0.36) NPSR1NPC1RAB9ACA12CA9
SCHEMBL1509098 0.78 NPC1 (0.41) NPSR1NPC1RAB9ACA12CA9
SCHEMBL2830142 0.73 NPSR1 (0.38) NPSR1NPC1RAB9ACA12CA9
Hydrochloric Acid SCHEMBL28285338 0.71 OPRM1 (0.40) NPSR1NPC1RAB9ACA12CA9
SCHEMBL1509096 0.70 NPC1 (0.40) NPSR1NPC1RAB9ACA12CA9
SCHEMBL19580264 0.70 CNR2 (0.52) NPSR1NPC1RAB9AKMT2AMEN1

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-8507493-B2 Amide and amidine derivatives and uses thereof ABBVIE INC. (US) 2013-08-13 US disclosed
EP-2506716-A1 NOVEL TRICYCLIC COMPOUNDS Abbott Laboratories (US) 2012-10-10 EP disclosed
WO-2011068881-A1 NOVEL TRICYCLIC COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-09 WO disclosed
US-20100267738-A1 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-10-21 US 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-20100267738-A1 NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF HSD11B2, HSD11B1, HSD17B2 NPSR1 912/4885NPC1 863/4885RAB9A 2938/4885

“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.