SCHEMBL3390449

SCHEMBL3390449

CC(C)N1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1.CC(C)N1CCN(C(=O)c2ccc3c(ccn3C3CCCN(Cc4ccccc4)C3)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.57
ACHE P22303 1/20 0.45
HTR4 Q13639 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
HRH3 Q9Y5N1 6/20 0.44
CHRM2 P08172 1/20 0.43
NPC1 O15118 1/20 0.41
CCR3 P51677 1/20 0.40
KDM4E B2RXH2 1/20 0.40
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
OXTR P30559 1/20 0.39

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
SCHEMBL3390881 0.95 MAPK14 (0.59) MAPK14ACHEHTR4SIGMAR1HRH3
SCHEMBL3386122 0.92 HRH3 (0.52) MAPK14HRH3NPC1KDM4E
SCHEMBL3386857 0.88 HRH3 (0.52) MAPK14HRH3NPC1KDM4E
SCHEMBL3388657 0.87 MAPK14 (0.60) MAPK14ACHEHTR4SIGMAR1HRH3
SCHEMBL3390277 0.87 MAPK14 (0.60) MAPK14ACHEHTR4SIGMAR1HRH3
SCHEMBL3386153 0.85 CHRM2 (0.45) MAPK14ACHEHTR4HRH3CHRM2
SCHEMBL3391056 0.85 MAPK14 (0.59) MAPK14ACHEHTR4SIGMAR1CHRM2
SCHEMBL3383892 0.82 MAPK14 (0.64) MAPK14ACHEHTR4SIGMAR1HRH3
SCHEMBL3387941 0.81 MAPK14 (0.53) MAPK14ACHEHTR4SIGMAR1HRH3
SCHEMBL3388485 0.79 MAPK14 (0.56) MAPK14ACHEHTR4SIGMAR1HRH3

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-8445684-B2 Nicotinic acetylcholine receptor ligands and the uses thereof PsycoGenics Inc. (US) 2013-05-21 US disclosed
EP-2029534-B1 1H-INDOL-5-YL-PIPERAZIN-1-YL-METHANONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-12-22 EP 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 (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-20100152450-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF CHRNG, CHRNA5, CHRNA2 MAPK14 3565/4885ACHE 22/4885HTR4 148/4885

“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.