SCHEMBL2184749

SCHEMBL2184749

c1ccc(COCCCC2CCNC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
CHRNB2 P17787 1/20 0.50
CHRM3 P20309 1/20 0.50
CHRNA4 P43681 1/20 0.50
GBA1 P04062 1/20 0.47
REN P00797 8/20 0.47
ITGB3 P05106 2/20 0.43
ITGA2B P08514 2/20 0.43
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
HTR1A P08908 1/20 0.41
TSHR P16473 1/20 0.41
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
LMNA P02545 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
SCHEMBL2184750 1.00 CHRM2 (0.50) CHRM2CHRM1CHRNB2CHRM3CHRNA4
SCHEMBL3357406 1.00 CHRM2 (0.50) CHRM2CHRM1CHRNB2CHRM3CHRNA4
SCHEMBL3357350 0.91 KMT2A (0.50) CHRM2CHRM1CHRNB2CHRM3CHRNA4
SCHEMBL3357344 0.91 KMT2A (0.50) CHRM2CHRM1CHRNB2CHRM3CHRNA4
SCHEMBL2185547 0.83 GBA1 (0.56) CHRM2CHRM1CHRNB2CHRM3CHRNA4
Trifluoroacetic Acid SCHEMBL31645334 0.82 ITGB3 (0.45) CHRM2CHRM1CHRNB2CHRM3CHRNA4
Hydrochloric Acid SCHEMBL26637622 0.81 GBA1 (0.54) CHRM2CHRM1CHRNB2CHRM3CHRNA4
SCHEMBL30346465 0.79 TSHR (0.48) CHRM3GBA1TSHRHRH4HRH3
SCHEMBL6400425 0.79 CHRNB2 (0.42) CHRNB2CHRM3CHRNA4ITGB3ITGA2B
SCHEMBL4068078 0.78 SIGMAR1 (0.53) TSHRHRH3

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 5 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
EP-2342192-A2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF Psychogenics Inc. (US) 2011-07-13 EP disclosed
US-20100152450-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF PSYCHOGENICS, INC. (US) 2010-06-17 US disclosed
WO-2010045212-A2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF PSYCHOGENICS, INCSTATUTS (US) 2010-04-22 WO 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 CHRM2 21/4885CHRM1 20/4885CHRNB2 12/4885
US-20130184313-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF CHRNG, CHRNA5, CHRNA2 CHRM2 21/4885CHRM1 20/4885CHRNB2 12/4885

“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.