SCHEMBL3358034

SCHEMBL3358034

c1ccc(CCCCC2CCNCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.59
ITGB3 P05106 5/20 0.51
ITGA2B P08514 5/20 0.51
SLC6A4 P31645 1/20 0.50
SIGMAR1 Q99720 1/20 0.49

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
SCHEMBL11537058 0.98 GBA1 (0.58) GBA1ITGB3ITGA2BSLC6A4SIGMAR1
SCHEMBL82734 0.95 GBA1 (0.61) GBA1ITGB3ITGA2BSLC6A4SIGMAR1
Hydrochloric Acid SCHEMBL7669421 0.93 GBA1 (0.59) GBA1ITGB3ITGA2BSLC6A4SIGMAR1
SCHEMBL2241250 0.87 GBA1 (0.66) GBA1SLC6A4
Hydrochloric Acid SCHEMBL1532936 0.85 GBA1 (0.63) GBA1SLC6A4
Ammonia Solution, Strong SCHEMBL6305319 0.85 SLC18A3 (0.50) SIGMAR1
Iodide SCHEMBL8983411 0.85 SLC18A3 (0.50) SIGMAR1
SCHEMBL12735855 0.83 MEN1 (0.59) GBA1ITGB3ITGA2BSIGMAR1
SCHEMBL11300310 0.83 SIGMAR1 (0.58) SIGMAR1
SCHEMBL3681167 0.83 HRH3 (0.49) GBA1ITGB3ITGA2BSLC6A4

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 23 patents — showing the first 20. 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-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-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-8445684-B2 Nicotinic acetylcholine receptor ligands and the uses thereof PsycoGenics Inc. (US) 2013-05-21 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
US-20100152450-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF PSYCHOGENICS, INC. (US) 2010-06-17 US disclosed
US-20100152450-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF PSYCHOGENICS, INC. (US) 2010-06-17 US disclosed
EP-0923575-B1 CYCLIC ETHER COMPOUNDS AS SODIUM CHANNEL MODULATORS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-03-12 EP disclosed
EP-0923575-A1 CYCLIC ETHER COMPOUNDS AS SODIUM CHANNEL MODULATORS Takeda Chemical Industries, Ltd. (JP) 1999-06-23 EP disclosed
WO-1998008842-A1 CYCLIC ETHER COMPOUNDS AS SODIUM CHANNEL MODULATORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-05 WO disclosed
WO-1994001403-A1 PIPERIDINE DERIVATIVES SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1994-01-20 WO disclosed
CN-1030415-A Saturated heterocycle carboxamide derivatives and its preparation method YAMANOUCHI PHARMA CO LTD (JP) 1989-01-18 CN disclosed
US-4136180-A HYPOLIPIDEMIC SUBSTITUTED STYRENESULFONYLUREAS PFIZER INC. (US) 1979-01-23 US disclosed
US-4077958-A ANTIDEPRESSANTS E. R. SQUIBB & SONS, INC. (US) 1978-03-07 US disclosed
US-4062960-A Hypolipidemic alkenesulfonamides PFIZER INC. (US) 1977-12-13 US disclosed
US-4007191-A ANTIDEPRESSANT E. R. SQUIBB & SONS, INC. (US) 1977-02-08 US disclosed
US-3983107-A ARTERIOSCLEROSIS PFIZER INC. (US) 1976-09-28 US disclosed
US-3935227-A ANTIDEPRESSANTS, ANTIANXIETY, ANTIINFLAMMATORY AGENTS E. R. SQUIBB & SONS, INC. (US) 1976-01-27 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 GBA1 3358/4885ITGB3 639/4885ITGA2B 694/4885
US-20130184313-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF CHRNG, CHRNA5, CHRNA2 GBA1 3358/4885ITGB3 639/4885ITGA2B 694/4885

“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.