SCHEMBL3356771

SCHEMBL3356771

O=C(O)N1CCC(CCCOCc2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEAD3 Q99594 2/20 0.48
TACR3 P29371 1/20 0.48
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
ALDH1A1 P00352 2/20 0.44
FAAH O00519 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43

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
SCHEMBL3360992 1.00 TEAD3 (0.48) TEAD3TACR3RAB9ASMN1; SMN2NPC1
SCHEMBL2186021 1.00 TEAD3 (0.48) TEAD3TACR3RAB9ASMN1; SMN2NPC1
SCHEMBL3356619 0.92 TEAD3 (0.47) TEAD3TACR3RAB9ASMN1; SMN2NPC1
SCHEMBL3356243 0.92 TEAD3 (0.47) TEAD3TACR3RAB9ASMN1; SMN2NPC1
SCHEMBL3356236 0.92 TEAD3 (0.47) TEAD3TACR3RAB9ASMN1; SMN2NPC1
SCHEMBL22117759 0.85 CHRM4 (0.49) TEAD3TACR3RAB9ASMN1; SMN2NPC1
SCHEMBL3358872 0.85 GPR119 (0.53) KDM4E
SCHEMBL3358876 0.85 GPR119 (0.53) KDM4E
SCHEMBL2189494 0.85 GPR119 (0.53) KDM4E
SCHEMBL2791945 0.82 AGTR2 (0.53) TEAD3TACR3RAB9ASMN1; SMN2NPC1

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 3930/4885TACR3 40/4885RAB9A 3265/4885
US-20130184313-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF CHRNG, CHRNA5, CHRNA2 TEAD3 3930/4885TACR3 40/4885RAB9A 3265/4885

“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.