SCHEMBL3356619

SCHEMBL3356619

O=C(O)N1CCC[C@@H](CCCOCc2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEAD3 Q99594 2/20 0.47
KDM4E B2RXH2 3/20 0.43
MAPK1 P28482 1/20 0.43
HSD11B1 P28845 1/20 0.42
AGTR2 P50052 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
HPGD P15428 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
TACR3 P29371 1/20 0.40
AKR1C3 P42330 1/20 0.40
GBA1 P04062 2/20 0.40
UGCG Q16739 2/20 0.40
GBA2 Q9HCG7 2/20 0.40
EPHX2 P34913 1/20 0.40
KMT2A Q03164 1/20 0.40
GRM5 P41594 1/20 0.40
CTSS P25774 1/20 0.40

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
SCHEMBL3356236 1.00 TEAD3 (0.47) TEAD3KDM4EMAPK1HSD11B1AGTR2
SCHEMBL3356243 1.00 TEAD3 (0.47) TEAD3KDM4EMAPK1HSD11B1AGTR2
SCHEMBL3360992 0.92 TEAD3 (0.48) TEAD3KDM4EAGTR2SMN1; SMN2NPC1
SCHEMBL2186021 0.92 TEAD3 (0.48) TEAD3KDM4EAGTR2SMN1; SMN2NPC1
SCHEMBL3356771 0.92 TEAD3 (0.48) TEAD3KDM4EAGTR2SMN1; SMN2NPC1
SCHEMBL22366372 0.86 CTSL (0.46) TEAD3HSD11B1AGTR2SMN1; SMN2HPGD
SCHEMBL22319963 0.86 CTSL (0.46) TEAD3HSD11B1AGTR2SMN1; SMN2HPGD
SCHEMBL22616969 0.86 CTSL (0.53) HSD11B1AGTR2SMN1; SMN2CHRNB2CHRNA4
SCHEMBL22616971 0.86 CTSL (0.53) HSD11B1AGTR2SMN1; SMN2CHRNB2CHRNA4
SCHEMBL22616980 0.86 CTSL (0.53) HSD11B1AGTR2SMN1; SMN2CHRNB2CHRNA4

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-20130184313-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2013-07-18 US disclosed
US-8445684-B2 Nicotinic acetylcholine receptor ligands and the uses thereof PsycoGenics Inc. (US) 2013-05-21 US disclosed
US-20100152450-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF PSYCHOGENICS, INC. (US) 2010-06-17 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 (2 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-20100152450-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF CHRNG, CHRNA5, CHRNA2 TEAD3 3930/4885KDM4E 2600/4885MAPK1 2894/4885
US-20130184313-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF CHRNG, CHRNA5, CHRNA2 TEAD3 3930/4885KDM4E 2600/4885MAPK1 2894/4885

“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.